[(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid

C18H28N2O2 — CID 67189068

IUPAC[(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)[C@H](N)C(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-13(20-18(21)22)17(19)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15-17,20H,3,6-7,10-12,19H2,1H3,(H,21,22)/t13-,16?,17-/m0/s1
InChIKeyZEIXJEHDAWJUHT-KAKCIXEOSA-N
MW304.43 g/mol
LogP3.41
Rot. Bonds6

About [(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid

[(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid (PubChem CID 67189068) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid
PubChem CID67189068
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)[C@H](N)C(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-13(20-18(21)22)17(19)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15-17,20H,3,6-7,10-12,19H2,1H3,(H,21,22)/t13-,16?,17-/m0/s1
InChIKeyZEIXJEHDAWJUHT-KAKCIXEOSA-N
XLogP3.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 81389396
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CID 81386066
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
[(1S)-1-cyclohexylethyl] (2S)-2-acetamido-3-phenylpropanoate
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(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide
CID 11067759
2-cyclohexylpropylbenzene
CID 15846297
2-cyclohexyl-4-phenylbutane-1,3-diamine
CID 20848425
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide
CID 61248190
(2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide
CID 69359753

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid?
The IUPAC name of [(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid (CID 67189068) is [(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid?
The canonical SMILES for [(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid is C[C@H](NC(=O)O)[C@H](N)C(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of [(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid?
The InChIKey is ZEIXJEHDAWJUHT-KAKCIXEOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(20-18(21)22)17(19)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15-17,20H,3,6-7,10-12,19H2,1H3,(H,21,22)/t13-,16?,17-/m0/s1.
What are the key properties of [(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid?
[(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid has a molecular weight of 304.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid is sourced from PubChem (CID 67189068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).