2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide

C12H23N3O3 — CID 104931679

IUPAC2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H23N3O3/c1-7(2)10(15-12(13)18)11(17)14-8-5-3-4-6-9(8)16/h7-10,16H,3-6H2,1-2H3,(H,14,17)(H3,13,15,18)/t8-,9-,10?/m1/s1
InChIKeyXPQHXOMFQJDHGS-MGRQHWMJSA-N
MW257.33 g/mol
LogP0.10
Rot. Bonds4

About 2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide

2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide (PubChem CID 104931679) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide
PubChem CID104931679
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H23N3O3/c1-7(2)10(15-12(13)18)11(17)14-8-5-3-4-6-9(8)16/h7-10,16H,3-6H2,1-2H3,(H,14,17)(H3,13,15,18)/t8-,9-,10?/m1/s1
InChIKeyXPQHXOMFQJDHGS-MGRQHWMJSA-N
XLogP0.10
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 64815182
2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide
CID 62365972
N-[(1R,2R)-2-hydroxycyclopentyl]-2-methylpropanamide
CID 138722563
(2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide
CID 2085394
2-amino-N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 68925169
N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 104957388
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 107222022
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
N-carbamoyl-2-[(2-hydroxycyclohexyl)amino]propanamide
CID 62359652
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide
CID 107221602
3-amino-4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-oxobutanoic acid
CID 107222087

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide (CID 104931679) is 2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide is CC(C)C(NC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide?
The InChIKey is XPQHXOMFQJDHGS-MGRQHWMJSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-7(2)10(15-12(13)18)11(17)14-8-5-3-4-6-9(8)16/h7-10,16H,3-6H2,1-2H3,(H,14,17)(H3,13,15,18)/t8-,9-,10?/m1/s1.
What are the key properties of 2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide?
2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide has a molecular weight of 257.33 g/mol, XLogP of 0.10, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide is sourced from PubChem (CID 104931679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).