(2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide

C12H23N3O2 — CID 11939503

IUPAC(2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
SMILESC[C@H]1[C@@H](N[C@@H](C)C(=O)NC(N)=O)CCC[C@@H]1C
InChIInChI=1S/C12H23N3O2/c1-7-5-4-6-10(8(7)2)14-9(3)11(16)15-12(13)17/h7-10,14H,4-6H2,1-3H3,(H3,13,15,16,17)/t7-,8+,9-,10-/m0/s1
InChIKeyRHZLJSLOFGAFTC-JXUBOQSCSA-N
MW241.33 g/mol
LogP0.98
Rot. Bonds3

About (2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide

(2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide (PubChem CID 11939503) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
PubChem CID11939503
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
SMILESC[C@H]1[C@@H](N[C@@H](C)C(=O)NC(N)=O)CCC[C@@H]1C
InChIInChI=1S/C12H23N3O2/c1-7-5-4-6-10(8(7)2)14-9(3)11(16)15-12(13)17/h7-10,14H,4-6H2,1-3H3,(H3,13,15,16,17)/t7-,8+,9-,10-/m0/s1
InChIKeyRHZLJSLOFGAFTC-JXUBOQSCSA-N
XLogP0.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide (CID 11939503) is (2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide is C[C@H]1[C@@H](N[C@@H](C)C(=O)NC(N)=O)CCC[C@@H]1C.
What is the InChIKey of (2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide?
The InChIKey is RHZLJSLOFGAFTC-JXUBOQSCSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-7-5-4-6-10(8(7)2)14-9(3)11(16)15-12(13)17/h7-10,14H,4-6H2,1-3H3,(H3,13,15,16,17)/t7-,8+,9-,10-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide?
(2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide is sourced from PubChem (CID 11939503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).