(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid

C12H23N3O3 — CID 107566363

IUPAC(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NC1CCCCC1N)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-2-5-10(11(16)17)15-12(18)14-9-7-4-3-6-8(9)13/h8-10H,2-7,13H2,1H3,(H,16,17)(H2,14,15,18)/t8?,9?,10-/m0/s1
InChIKeyPTMWRUWZPATEMK-RTBKNWGFSA-N
MW257.33 g/mol
LogP0.81
Rot. Bonds5

About (2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid

(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid (PubChem CID 107566363) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid
PubChem CID107566363
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NC1CCCCC1N)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-2-5-10(11(16)17)15-12(18)14-9-7-4-3-6-8(9)13/h8-10H,2-7,13H2,1H3,(H,16,17)(H2,14,15,18)/t8?,9?,10-/m0/s1
InChIKeyPTMWRUWZPATEMK-RTBKNWGFSA-N
XLogP0.81
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61408424
(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid
CID 107567415
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid
CID 107566778
6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid
CID 65289906
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid
CID 107566553
(2S)-2-[(2-aminocyclohexyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61408334
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid
CID 62478843
N-(2-aminocyclohexyl)propanamide
CID 61036997
1-(2-aminocycloheptyl)-3-propylurea
CID 63258563

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid (CID 107566363) is (2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NC1CCCCC1N)C(=O)O.
What is the InChIKey of (2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid?
The InChIKey is PTMWRUWZPATEMK-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-2-5-10(11(16)17)15-12(18)14-9-7-4-3-6-8(9)13/h8-10H,2-7,13H2,1H3,(H,16,17)(H2,14,15,18)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid?
(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).