(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid

C15H20N2O3 — CID 107566679

IUPAC(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CC1c1ccccc1)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-2-6-12(14(18)19)16-15(20)17-13-9-11(13)10-7-4-3-5-8-10/h3-5,7-8,11-13H,2,6,9H2,1H3,(H,18,19)(H2,16,17,20)/t11?,12-,13?/m1/s1
InChIKeyMGZAPDVVCMWOKB-OTTFEQOBSA-N
MW276.34 g/mol
LogP2.10
Rot. Bonds6

About (2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid

(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid (PubChem CID 107566679) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid
PubChem CID107566679
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CC1c1ccccc1)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-2-6-12(14(18)19)16-15(20)17-13-9-11(13)10-7-4-3-5-8-10/h3-5,7-8,11-13H,2,6,9H2,1H3,(H,18,19)(H2,16,17,20)/t11?,12-,13?/m1/s1
InChIKeyMGZAPDVVCMWOKB-OTTFEQOBSA-N
XLogP2.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 81085981
1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
CID 47764323
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide
CID 76923919
3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid
CID 81066840
(2S)-2-[(2-phenylcyclopropanecarbonyl)amino]hexanoic acid
CID 107144642
2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide
CID 131862373
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid
CID 107567415
2-methyl-3-oxo-3-[(2-phenylcyclopropyl)amino]propanoic acid
CID 114898248
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
CID 111338273

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid (CID 107566679) is (2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NC1CC1c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid?
The InChIKey is MGZAPDVVCMWOKB-OTTFEQOBSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-6-12(14(18)19)16-15(20)17-13-9-11(13)10-7-4-3-5-8-10/h3-5,7-8,11-13H,2,6,9H2,1H3,(H,18,19)(H2,16,17,20)/t11?,12-,13?/m1/s1.
What are the key properties of (2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid?
(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).