ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride

C15H29ClN2O4 — CID 70063212

IUPACethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride
SMILESCCOC(=O)CCNC(=O)C(O)[C@H](N)CC1CCCCC1.Cl
InChIInChI=1S/C15H28N2O4.ClH/c1-2-21-13(18)8-9-17-15(20)14(19)12(16)10-11-6-4-3-5-7-11;/h11-12,14,19H,2-10,16H2,1H3,(H,17,20);1H/t12-,14?;/m1./s1
InChIKeyYAIMIRBZTZSWEY-UYUUDJTFSA-N
MW336.86 g/mol
LogP1.14
Rot. Bonds8

About ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride

ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride (PubChem CID 70063212) has the molecular formula C15H29ClN2O4 and a molecular weight of 336.86 g/mol. Its IUPAC name is ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride
PubChem CID70063212
Molecular FormulaC15H29ClN2O4
Molecular Weight336.86 g/mol
Exact Mass336.18
IUPAC Nameethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride
SMILESCCOC(=O)CCNC(=O)C(O)[C@H](N)CC1CCCCC1.Cl
InChIInChI=1S/C15H28N2O4.ClH/c1-2-21-13(18)8-9-17-15(20)14(19)12(16)10-11-6-4-3-5-7-11;/h11-12,14,19H,2-10,16H2,1H3,(H,17,20);1H/t12-,14?;/m1./s1
InChIKeyYAIMIRBZTZSWEY-UYUUDJTFSA-N
XLogP1.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride with MolForge

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Related Compounds

ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate
CID 70097268
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride
CID 70064203
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate
CID 103157624
ethyl 3-[(3-amino-2-hydroxy-5-methylsulfanylpentanoyl)amino]propanoate;hydrochloride
CID 142647874
3-amino-N-(cyclohexylmethyl)-2-hydroxypentanamide
CID 139329085
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
ethyl 3-(2-cyclohexylethylamino)propanoate
CID 60920953
3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride
CID 21198823
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride?
The IUPAC name of ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride (CID 70063212) is ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride?
The canonical SMILES for ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride is CCOC(=O)CCNC(=O)C(O)[C@H](N)CC1CCCCC1.Cl.
What is the InChIKey of ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride?
The InChIKey is YAIMIRBZTZSWEY-UYUUDJTFSA-N. The full InChI is InChI=1S/C15H28N2O4.ClH/c1-2-21-13(18)8-9-17-15(20)14(19)12(16)10-11-6-4-3-5-7-11;/h11-12,14,19H,2-10,16H2,1H3,(H,17,20);1H/t12-,14?;/m1./s1.
What are the key properties of ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride?
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 70063212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).