2-(pent-3-ynylamino)acetic acid

C7H11NO2 — CID 104808695

IUPAC2-(pent-3-ynylamino)acetic acid
SMILESCC#CCCNCC(=O)O
InChIInChI=1S/C7H11NO2/c1-2-3-4-5-8-6-7(9)10/h8H,4-6H2,1H3,(H,9,10)
InChIKeyFGNCUXJHRJRIEY-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.07
Rot. Bonds4

About 2-(pent-3-ynylamino)acetic acid

2-(pent-3-ynylamino)acetic acid (PubChem CID 104808695) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(pent-3-ynylamino)acetic acid.

Molecular Properties

Compound Name2-(pent-3-ynylamino)acetic acid
PubChem CID104808695
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(pent-3-ynylamino)acetic acid
SMILESCC#CCCNCC(=O)O
InChIInChI=1S/C7H11NO2/c1-2-3-4-5-8-6-7(9)10/h8H,4-6H2,1H3,(H,9,10)
InChIKeyFGNCUXJHRJRIEY-UHFFFAOYSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(pent-3-ynylamino)acetamide
CID 116643713
N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide
CID 116643823
3-(pent-3-ynylamino)butanoic acid
CID 116643865
3-(pent-3-ynylsulfamoyl)propanoic acid
CID 116642734
sodium;2-(2-cyanoethylamino)acetic acid;hydride
CID 173295296
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
2-amino-3-(pent-3-ynylamino)propanamide
CID 103266574
octadeca-4,16-diynoic acid
CID 169448081
non-7-ynoic acid
CID 549239
2-(carboxymethylamino)acetic acid
CID 8897
methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate
CID 116643935
N-but-3-ynylpent-3-yn-1-amine
CID 104806965

Frequently Asked Questions

What is the IUPAC name of 2-(pent-3-ynylamino)acetic acid?
The IUPAC name of 2-(pent-3-ynylamino)acetic acid (CID 104808695) is 2-(pent-3-ynylamino)acetic acid.
What is the SMILES notation for 2-(pent-3-ynylamino)acetic acid?
The canonical SMILES for 2-(pent-3-ynylamino)acetic acid is CC#CCCNCC(=O)O.
What is the InChIKey of 2-(pent-3-ynylamino)acetic acid?
The InChIKey is FGNCUXJHRJRIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-4-5-8-6-7(9)10/h8H,4-6H2,1H3,(H,9,10).
What are the key properties of 2-(pent-3-ynylamino)acetic acid?
2-(pent-3-ynylamino)acetic acid has a molecular weight of 141.17 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-3-ynylamino)acetic acid is sourced from PubChem (CID 104808695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).