2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid

C17H33N7O6 — CID 118650049

IUPAC2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid
SMILESCC(=O)N(CN)CC(=O)N(CC(=O)N(CN)CC(=O)N(CN)CC(=O)O)CC(C)C
InChIInChI=1S/C17H33N7O6/c1-12(2)4-21(14(26)6-22(9-18)13(3)25)5-15(27)23(10-19)7-16(28)24(11-20)8-17(29)30/h12H,4-11,18-20H2,1-3H3,(H,29,30)
InChIKeyMQUVKKOBSQAPPY-UHFFFAOYSA-N
MW431.49 g/mol
LogP-3.19
Rot. Bonds13

About 2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid

2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid (PubChem CID 118650049) has the molecular formula C17H33N7O6 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid
PubChem CID118650049
Molecular FormulaC17H33N7O6
Molecular Weight431.49 g/mol
Exact Mass431.25
IUPAC Name2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid
SMILESCC(=O)N(CN)CC(=O)N(CC(=O)N(CN)CC(=O)N(CN)CC(=O)O)CC(C)C
InChIInChI=1S/C17H33N7O6/c1-12(2)4-21(14(26)6-22(9-18)13(3)25)5-15(27)23(10-19)7-16(28)24(11-20)8-17(29)30/h12H,4-11,18-20H2,1-3H3,(H,29,30)
InChIKeyMQUVKKOBSQAPPY-UHFFFAOYSA-N
XLogP-3.19
TPSA196.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 5-3.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid with MolForge

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Related Compounds

2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[2-methylpropyl-(2-methylsulfanylacetyl)amino]acetic acid
CID 62032636
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63645438
N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 144977230
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
N-(2-methylpropyl)-N-(2-oxopropyl)propanamide
CID 88936826
2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107438124
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 63066283
2-[2-methylpropyl(4-methylsulfanylbutanoyl)amino]acetic acid
CID 115909757
2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid
CID 119192819
2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid
CID 63064871

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid (CID 118650049) is 2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid is CC(=O)N(CN)CC(=O)N(CC(=O)N(CN)CC(=O)N(CN)CC(=O)O)CC(C)C.
What is the InChIKey of 2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid?
The InChIKey is MQUVKKOBSQAPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N7O6/c1-12(2)4-21(14(26)6-22(9-18)13(3)25)5-15(27)23(10-19)7-16(28)24(11-20)8-17(29)30/h12H,4-11,18-20H2,1-3H3,(H,29,30).
What are the key properties of 2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid?
2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid has a molecular weight of 431.49 g/mol, XLogP of -3.19, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid is sourced from PubChem (CID 118650049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).