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

C12H22N2O4 — CID 107566778

IUPAC(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CCCC1OC)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-5-9(11(15)16)14-12(17)13-8-6-4-7-10(8)18-2/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t8?,9-,10?/m1/s1
InChIKeyNPEUOHNNGULIRN-HWOCKDDLSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds6

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

(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid (PubChem CID 107566778) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid
PubChem CID107566778
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CCCC1OC)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-5-9(11(15)16)14-12(17)13-8-6-4-7-10(8)18-2/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t8?,9-,10?/m1/s1
InChIKeyNPEUOHNNGULIRN-HWOCKDDLSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-[(2-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 62472524
2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid
CID 62088265
(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910229
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972
(2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid
CID 55033421
(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid
CID 107566363
(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid
CID 107567415
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
(2R)-3-(1H-imidazol-5-yl)-2-[(2-methoxycyclopentyl)carbamoylamino]propanoic acid
CID 104895161
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid
CID 62478843
(2S)-4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 107827757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid (CID 107566778) is (2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NC1CCCC1OC)C(=O)O.
What is the InChIKey of (2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid?
The InChIKey is NPEUOHNNGULIRN-HWOCKDDLSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-5-9(11(15)16)14-12(17)13-8-6-4-7-10(8)18-2/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t8?,9-,10?/m1/s1.
What are the key properties of (2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid?
(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).