2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid

C13H26N2O3 — CID 63064871

IUPAC2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCCNC(C)C
InChIInChI=1S/C13H26N2O3/c1-10(2)8-15(9-13(17)18)12(16)6-5-7-14-11(3)4/h10-11,14H,5-9H2,1-4H3,(H,17,18)
InChIKeyMGQAZHMHMNIFOI-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.33
Rot. Bonds9

About 2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid

2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid (PubChem CID 63064871) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid
PubChem CID63064871
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCCNC(C)C
InChIInChI=1S/C13H26N2O3/c1-10(2)8-15(9-13(17)18)12(16)6-5-7-14-11(3)4/h10-11,14H,5-9H2,1-4H3,(H,17,18)
InChIKeyMGQAZHMHMNIFOI-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850058
2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid
CID 119193019
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60946981
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119193420
2-[2-methylpropyl(4-methylsulfanylbutanoyl)amino]acetic acid
CID 115909757
2-[4-[(4-chlorobenzoyl)amino]butanoyl-(2-methylpropyl)amino]acetic acid
CID 119193162
N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 165153495
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
N,N-dipentyl-4-(propan-2-ylamino)butanamide
CID 60947135
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid (CID 63064871) is 2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CCCNC(C)C.
What is the InChIKey of 2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid?
The InChIKey is MGQAZHMHMNIFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(2)8-15(9-13(17)18)12(16)6-5-7-14-11(3)4/h10-11,14H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid?
2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid is sourced from PubChem (CID 63064871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).