2-(3-formamidopropanoylamino)acetic acid

C6H10N2O4 — CID 118070354

IUPAC2-(3-formamidopropanoylamino)acetic acid
SMILESO=CNCCC(=O)NCC(=O)O
InChIInChI=1S/C6H10N2O4/c9-4-7-2-1-5(10)8-3-6(11)12/h4H,1-3H2,(H,7,9)(H,8,10)(H,11,12)
InChIKeyVNZKSHSNVDRLPX-UHFFFAOYSA-N
MW174.16 g/mol
LogP-1.68
Rot. Bonds6

About 2-(3-formamidopropanoylamino)acetic acid

2-(3-formamidopropanoylamino)acetic acid (PubChem CID 118070354) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-(3-formamidopropanoylamino)acetic acid.

Molecular Properties

Compound Name2-(3-formamidopropanoylamino)acetic acid
PubChem CID118070354
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name2-(3-formamidopropanoylamino)acetic acid
SMILESO=CNCCC(=O)NCC(=O)O
InChIInChI=1S/C6H10N2O4/c9-4-7-2-1-5(10)8-3-6(11)12/h4H,1-3H2,(H,7,9)(H,8,10)(H,11,12)
InChIKeyVNZKSHSNVDRLPX-UHFFFAOYSA-N
XLogP-1.68
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-methoxyethyl 2-(3-formamidopropanoylamino)acetate
CID 57278213
2-formamidoacetic acid
CID 170552381
2-[16-(ethylcarbamoylamino)hexadecanoylamino]acetic acid
CID 90973435
S-[2-(3-formamidopropanoylamino)ethyl] methanethioate
CID 134225258
2-formamidoacetic acid;hydrochloride
CID 174363412
4-[5-(carboxymethylcarbamoylamino)pentylamino]-4-oxobutanoic acid
CID 144662946
2-(6-bromohexanoylamino)acetic acid
CID 18934957
2-(7-aminoheptanoylamino)acetic acid
CID 18934956
2-[[12-(methylamino)-12-oxododecanoyl]amino]acetic acid
CID 163272447
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184

Frequently Asked Questions

What is the IUPAC name of 2-(3-formamidopropanoylamino)acetic acid?
The IUPAC name of 2-(3-formamidopropanoylamino)acetic acid (CID 118070354) is 2-(3-formamidopropanoylamino)acetic acid.
What is the SMILES notation for 2-(3-formamidopropanoylamino)acetic acid?
The canonical SMILES for 2-(3-formamidopropanoylamino)acetic acid is O=CNCCC(=O)NCC(=O)O.
What is the InChIKey of 2-(3-formamidopropanoylamino)acetic acid?
The InChIKey is VNZKSHSNVDRLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c9-4-7-2-1-5(10)8-3-6(11)12/h4H,1-3H2,(H,7,9)(H,8,10)(H,11,12).
What are the key properties of 2-(3-formamidopropanoylamino)acetic acid?
2-(3-formamidopropanoylamino)acetic acid has a molecular weight of 174.16 g/mol, XLogP of -1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formamidopropanoylamino)acetic acid is sourced from PubChem (CID 118070354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).