(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride

C12H24ClN3O2 — CID 119299474

IUPAC(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-9(13)12(17)14-8-7-11(16)15-10-5-3-2-4-6-10;/h9-10H,2-8,13H2,1H3,(H,14,17)(H,15,16);1H/t9-;/m0./s1
InChIKeyCBSVHCBLSHLSPN-FVGYRXGTSA-N
MW277.80 g/mol
LogP0.71
Rot. Bonds5

About (2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride

(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride (PubChem CID 119299474) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
PubChem CID119299474
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC Name(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-9(13)12(17)14-8-7-11(16)15-10-5-3-2-4-6-10;/h9-10H,2-8,13H2,1H3,(H,14,17)(H,15,16);1H/t9-;/m0./s1
InChIKeyCBSVHCBLSHLSPN-FVGYRXGTSA-N
XLogP0.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
CID 119741948
3-(carbamoylamino)-N-cyclohexylpropanamide
CID 47116358
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 120667696
N-cyclohexyl-3-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111075434
1-amino-N-[3-(cyclohexylamino)-3-oxopropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119299492
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165
N'-cyclododecyl-N-(3-methylbutyl)butanediamide
CID 3884403
N-[3-(cyclopropylamino)-3-oxopropyl]-2-(methylamino)propanamide
CID 79400764
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 79400915
4-(aminomethyl)-N-cyclohexylhexanamide
CID 112515401
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide
CID 79401443

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride (CID 119299474) is (2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride is C[C@H](N)C(=O)NCCC(=O)NC1CCCCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride?
The InChIKey is CBSVHCBLSHLSPN-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-9(13)12(17)14-8-7-11(16)15-10-5-3-2-4-6-10;/h9-10H,2-8,13H2,1H3,(H,14,17)(H,15,16);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride?
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride is sourced from PubChem (CID 119299474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).