(2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid

C10H19NO3 — CID 141155895

IUPAC(2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid
SMILES[2H]C(N[C@@H](CO)C(=O)O)C1CCCCC1
InChIInChI=1S/C10H19NO3/c12-7-9(10(13)14)11-6-8-4-2-1-3-5-8/h8-9,11-12H,1-7H2,(H,13,14)/t9-/m0/s1/i6D/t6?,9-
InChIKeyMSKQSNVLXCNMCX-JVZLQTKXSA-N
MW202.27 g/mol
LogP0.60
Rot. Bonds5

About (2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid

(2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid (PubChem CID 141155895) has the molecular formula C10H19NO3 and a molecular weight of 202.27 g/mol. Its IUPAC name is (2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid
PubChem CID141155895
Molecular FormulaC10H19NO3
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name(2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid
SMILES[2H]C(N[C@@H](CO)C(=O)O)C1CCCCC1
InChIInChI=1S/C10H19NO3/c12-7-9(10(13)14)11-6-8-4-2-1-3-5-8/h8-9,11-12H,1-7H2,(H,13,14)/t9-/m0/s1/i6D/t6?,9-
InChIKeyMSKQSNVLXCNMCX-JVZLQTKXSA-N
XLogP0.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methylcyclohexyl)amino]propanoic acid
CID 22965492
(2S)-2-[[4-(aminomethyl)cyclohexyl]amino]propanoic acid
CID 90979668
N-laurylserine
CID 129728096
D-Serine, N-cyclohexyl-
CID 12003068
Cyclohexyl-serine
CID 12003069
2-(Cyclohexylamino)-3-hydroxypropanoic acid
CID 12003146
2-(Cyclohexanecarbonylamino)-3-hydroxypropanoic acid
CID 16771120
2-[(2-Methylcyclohexyl)amino]propanoic acid
CID 18432406
N-(cyclohexylmethyl)alanine
CID 19890160
2-(1-Cyclohexylbutylamino)propanoic acid
CID 20040723
2-[[3-[(Dicarboxymethylamino)methyl]cyclohexyl]methylamino]propanedioic acid
CID 20227342
(2S)-2-[(1-methylcyclohexyl)amino]propanoic acid
CID 20640227

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid (CID 141155895) is (2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid is [2H]C(N[C@@H](CO)C(=O)O)C1CCCCC1.
What is the InChIKey of (2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid?
The InChIKey is MSKQSNVLXCNMCX-JVZLQTKXSA-N. The full InChI is InChI=1S/C10H19NO3/c12-7-9(10(13)14)11-6-8-4-2-1-3-5-8/h8-9,11-12H,1-7H2,(H,13,14)/t9-/m0/s1/i6D/t6?,9-.
What are the key properties of (2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid?
(2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid has a molecular weight of 202.27 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[cyclohexyl(deuterio)methyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 141155895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).