(2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide

C12H23N3O2 — CID 2399656

IUPAC(2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide
SMILESCC(C)[C@H](NC(N)=O)C(=O)NC1CCCCC1
InChIInChI=1S/C12H23N3O2/c1-8(2)10(15-12(13)17)11(16)14-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,14,16)(H3,13,15,17)/t10-/m0/s1
InChIKeyLSZBBTJKJMVCNS-JTQLQIEISA-N
MW241.33 g/mol
LogP1.13
Rot. Bonds4

About (2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide

(2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide (PubChem CID 2399656) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide
PubChem CID2399656
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide
SMILESCC(C)[C@H](NC(N)=O)C(=O)NC1CCCCC1
InChIInChI=1S/C12H23N3O2/c1-8(2)10(15-12(13)17)11(16)14-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,14,16)(H3,13,15,17)/t10-/m0/s1
InChIKeyLSZBBTJKJMVCNS-JTQLQIEISA-N
XLogP1.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(alanyl-leucyl)
CID 13879946
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CID 4222340
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
3-(2-Butanyl)-6-methyl-2,5-piperazinedione
CID 45359405
(3S,6S)-3-((2S)-butan-2-yl)-6-methylpiperazine-2,5-dione
CID 71359704
1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
CID 3219609
N-acetylglycyl-N-cyclohexylisovalinamide
CID 3235937
(S)-2-(3,3-Dimethyl-ureido)-4-methyl-pentanoic acid (3-ethylcarbamoyl-propyl)-amide
CID 44330887
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
Ac-leu-nhme
CID 6950977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide (CID 2399656) is (2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide is CC(C)[C@H](NC(N)=O)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide?
The InChIKey is LSZBBTJKJMVCNS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)10(15-12(13)17)11(16)14-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,14,16)(H3,13,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide?
(2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide is sourced from PubChem (CID 2399656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).