2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid

C6H10N2O5 — CID 144619176

IUPAC2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid
SMILESO=CNCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C6H10N2O5/c9-2-4(6(12)13)8-5(11)1-7-3-10/h3-4,9H,1-2H2,(H,7,10)(H,8,11)(H,12,13)
InChIKeyMNWOOXWGHXQKAZ-UHFFFAOYSA-N
MW190.15 g/mol
LogP-2.71
Rot. Bonds6

About 2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid

2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid (PubChem CID 144619176) has the molecular formula C6H10N2O5 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid
PubChem CID144619176
Molecular FormulaC6H10N2O5
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid
SMILESO=CNCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C6H10N2O5/c9-2-4(6(12)13)8-5(11)1-7-3-10/h3-4,9H,1-2H2,(H,7,10)(H,8,11)(H,12,13)
InChIKeyMNWOOXWGHXQKAZ-UHFFFAOYSA-N
XLogP-2.71
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-2.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-formamidoacetyl)amino]-3-phenylpropanoic acid
CID 86010429
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
(2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid
CID 80751495
(2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid
CID 61161925
(2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid
CID 10683528
4-[[2-[(1-carboxy-2-phenylethyl)amino]-2-oxoethyl]amino]-3-[(2-formamidoacetyl)amino]-4-oxobutanoic acid
CID 166919985
3-amino-4-[[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 18219508
2-(7-aminoheptanoylamino)-3-hydroxypropanoic acid
CID 61157743
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
(2S)-3-hydroxy-2-(4-methylpentanoylamino)propanoic acid
CID 28778534
3-hydroxy-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propanoic acid
CID 5283390
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoic acid
CID 22016201

Frequently Asked Questions

What is the IUPAC name of 2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid (CID 144619176) is 2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid is O=CNCC(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid?
The InChIKey is MNWOOXWGHXQKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O5/c9-2-4(6(12)13)8-5(11)1-7-3-10/h3-4,9H,1-2H2,(H,7,10)(H,8,11)(H,12,13).
What are the key properties of 2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid?
2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid has a molecular weight of 190.15 g/mol, XLogP of -2.71, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 144619176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).