2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid

C7H14N2O2 — CID 144656113

IUPAC2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid
SMILESC=C(NCC(=O)O)[C@@H](N)CC
InChIInChI=1S/C7H14N2O2/c1-3-6(8)5(2)9-4-7(10)11/h6,9H,2-4,8H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyKGDWGVCSEGROPB-LURJTMIESA-N
MW158.20 g/mol
LogP-0.09
Rot. Bonds5

About 2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid

2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid (PubChem CID 144656113) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid
PubChem CID144656113
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid
SMILESC=C(NCC(=O)O)[C@@H](N)CC
InChIInChI=1S/C7H14N2O2/c1-3-6(8)5(2)9-4-7(10)11/h6,9H,2-4,8H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyKGDWGVCSEGROPB-LURJTMIESA-N
XLogP-0.09
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid?
The IUPAC name of 2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid (CID 144656113) is 2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid is C=C(NCC(=O)O)[C@@H](N)CC.
What is the InChIKey of 2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid?
The InChIKey is KGDWGVCSEGROPB-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-6(8)5(2)9-4-7(10)11/h6,9H,2-4,8H2,1H3,(H,10,11)/t6-/m0/s1.
What are the key properties of 2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid?
2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid has a molecular weight of 158.20 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid is sourced from PubChem (CID 144656113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).