(2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid

C13H23N3O3 — CID 107566680

IUPAC(2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NC1CCN(C2CC2)C1)C(=O)O
InChIInChI=1S/C13H23N3O3/c1-2-3-11(12(17)18)15-13(19)14-9-6-7-16(8-9)10-4-5-10/h9-11H,2-8H2,1H3,(H,17,18)(H2,14,15,19)/t9?,11-/m0/s1
InChIKeyFUOVNCQNHUYOOY-UMJHXOGRSA-N
MW269.34 g/mol
LogP0.78
Rot. Bonds6

About (2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid

(2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid (PubChem CID 107566680) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
PubChem CID107566680
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NC1CCN(C2CC2)C1)C(=O)O
InChIInChI=1S/C13H23N3O3/c1-2-3-11(12(17)18)15-13(19)14-9-6-7-16(8-9)10-4-5-10/h9-11H,2-8H2,1H3,(H,17,18)(H2,14,15,19)/t9?,11-/m0/s1
InChIKeyFUOVNCQNHUYOOY-UMJHXOGRSA-N
XLogP0.78
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566455
2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid
CID 65055653
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
(2S)-2-[(1,2-dimethylpiperidin-4-yl)carbamoylamino]pentanoic acid
CID 107567367
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid
CID 107566467
(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid
CID 107566553
2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732149
(2R)-4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 107826759
4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 54949791
4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 81069360
(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 107826156

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid (CID 107566680) is (2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NC1CCN(C2CC2)C1)C(=O)O.
What is the InChIKey of (2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is FUOVNCQNHUYOOY-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-3-11(12(17)18)15-13(19)14-9-6-7-16(8-9)10-4-5-10/h9-11H,2-8H2,1H3,(H,17,18)(H2,14,15,19)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid?
(2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 269.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).