3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid

C9H15N3O5 — CID 64896319

IUPAC3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid
SMILESNC(=O)C1CC(O)CN1C(=O)C(N)CC(=O)O
InChIInChI=1S/C9H15N3O5/c10-5(2-7(14)15)9(17)12-3-4(13)1-6(12)8(11)16/h4-6,13H,1-3,10H2,(H2,11,16)(H,14,15)
InChIKeySCDBKJQBHGZQIZ-UHFFFAOYSA-N
MW245.23 g/mol
LogP-2.76
Rot. Bonds4

About 3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid

3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid (PubChem CID 64896319) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is 3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid
PubChem CID64896319
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid
SMILESNC(=O)C1CC(O)CN1C(=O)C(N)CC(=O)O
InChIInChI=1S/C9H15N3O5/c10-5(2-7(14)15)9(17)12-3-4(13)1-6(12)8(11)16/h4-6,13H,1-3,10H2,(H2,11,16)(H,14,15)
InChIKeySCDBKJQBHGZQIZ-UHFFFAOYSA-N
XLogP-2.76
TPSA146.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-2.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-1-(2-amino-4-carboxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64890910
1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60952757
1-[(2S)-2-amino-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158430
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
CID 45116064
1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 65227708
2-[[(2S,4R)-1-[(2S)-2-amino-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 175863437
(2S,4R)-1-(2-amino-3-methoxypropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81088680
(2S,4R)-1-(2-amino-4-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55259781
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
1-[(2S)-2-amino-3-phenylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158237
(2S,4R)-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104984416
3-amino-4-oxo-4-(2,3,5-trimethylpiperidin-1-yl)butanoic acid
CID 114593012

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid (CID 64896319) is 3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid is NC(=O)C1CC(O)CN1C(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid?
The InChIKey is SCDBKJQBHGZQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5/c10-5(2-7(14)15)9(17)12-3-4(13)1-6(12)8(11)16/h4-6,13H,1-3,10H2,(H2,11,16)(H,14,15).
What are the key properties of 3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid?
3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid has a molecular weight of 245.23 g/mol, XLogP of -2.76, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 64896319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).