2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid

C10H19N3O4 — CID 65224048

IUPAC2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CNC(=O)CN)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-2-3-7(10(16)17)5-12-9(15)6-13-8(14)4-11/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeySVMWIWCOOGVSKR-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.32
Rot. Bonds8

About 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid

2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid (PubChem CID 65224048) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid
PubChem CID65224048
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CNC(=O)CN)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-2-3-7(10(16)17)5-12-9(15)6-13-8(14)4-11/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeySVMWIWCOOGVSKR-UHFFFAOYSA-N
XLogP-1.32
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid
CID 87609068
2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
CID 65223888
2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080901
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224439
2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
CID 65218680
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid
CID 65224044
2-[(heptanoylamino)methyl]pentanoic acid
CID 65218946
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-amino-N-[2-(hexan-3-ylamino)-2-oxoethyl]acetamide
CID 62117084
2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
CID 107472290

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid (CID 65224048) is 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)CNC(=O)CN)C(=O)O.
What is the InChIKey of 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid?
The InChIKey is SVMWIWCOOGVSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-2-3-7(10(16)17)5-12-9(15)6-13-8(14)4-11/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid?
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.32, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65224048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).