(2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid

C9H15N3O5 — CID 107838232

IUPAC(2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
SMILESNC(=O)C1CCCN1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C9H15N3O5/c10-7(14)5-2-1-3-12(5)9(17)11-4-6(13)8(15)16/h5-6,13H,1-4H2,(H2,10,14)(H,11,17)(H,15,16)/t5?,6-/m0/s1
InChIKeySNDQSLOCAUALKT-GDVGLLTNSA-N
MW245.23 g/mol
LogP-1.91
Rot. Bonds4

About (2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid

(2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 107838232) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is (2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID107838232
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name(2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
SMILESNC(=O)C1CCCN1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C9H15N3O5/c10-7(14)5-2-1-3-12(5)9(17)11-4-6(13)8(15)16/h5-6,13H,1-4H2,(H2,10,14)(H,11,17)(H,15,16)/t5?,6-/m0/s1
InChIKeySNDQSLOCAUALKT-GDVGLLTNSA-N
XLogP-1.91
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670104
3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167842
2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221074
(2R)-4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005368
4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 61200187
2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200145
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174648
4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524794
2-hydroxy-3-[(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055675
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001227
(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830729

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid (CID 107838232) is (2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid is NC(=O)C1CCCN1C(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is SNDQSLOCAUALKT-GDVGLLTNSA-N. The full InChI is InChI=1S/C9H15N3O5/c10-7(14)5-2-1-3-12(5)9(17)11-4-6(13)8(15)16/h5-6,13H,1-4H2,(H2,10,14)(H,11,17)(H,15,16)/t5?,6-/m0/s1.
What are the key properties of (2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
(2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 245.23 g/mol, XLogP of -1.91, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107838232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).