(2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide

C11H21N3O2 — CID 35935105

IUPAC(2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)[C@H](C)NC(N)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-7-3-5-9(6-4-7)14-10(15)8(2)13-11(12)16/h7-9H,3-6H2,1-2H3,(H,14,15)(H3,12,13,16)/t7?,8-,9?/m0/s1
InChIKeyBMHWTVAXMGIRQE-MGURRDGZSA-N
MW227.31 g/mol
LogP0.74
Rot. Bonds3

About (2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide

(2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide (PubChem CID 35935105) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide
PubChem CID35935105
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)[C@H](C)NC(N)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-7-3-5-9(6-4-7)14-10(15)8(2)13-11(12)16/h7-9H,3-6H2,1-2H3,(H,14,15)(H3,12,13,16)/t7?,8-,9?/m0/s1
InChIKeyBMHWTVAXMGIRQE-MGURRDGZSA-N
XLogP0.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide
CID 2085394
methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate
CID 4571639
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 115599512
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
(2S)-2-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 70253137
N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide
CID 116509918
benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
CID 18106493
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(4-methylcyclohexyl)butanamide
CID 76924598
N-cyclopropyl-2-(propan-2-ylamino)propanamide
CID 43085808
2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 113407095
2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 55739288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide (CID 35935105) is (2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide is CC1CCC(NC(=O)[C@H](C)NC(N)=O)CC1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide?
The InChIKey is BMHWTVAXMGIRQE-MGURRDGZSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7-3-5-9(6-4-7)14-10(15)8(2)13-11(12)16/h7-9H,3-6H2,1-2H3,(H,14,15)(H3,12,13,16)/t7?,8-,9?/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide?
(2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide has a molecular weight of 227.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 35935105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).