trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid

C12H23NO3 — CID 137348029

IUPACtrans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid
SMILESCC(C)C[C@H](N)[C@@H](O)[C@@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H23NO3/c1-7(2)6-10(13)11(14)8-4-3-5-9(8)12(15)16/h7-11,14H,3-6,13H2,1-2H3,(H,15,16)/t8-,9-,10+,11+/m1/s1
InChIKeyYPQLLEPHYDICGQ-ZNSHCXBVSA-N
MW229.32 g/mol
LogP1.22
Rot. Bonds5

About trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid

trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid (PubChem CID 137348029) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid
PubChem CID137348029
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametrans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid
SMILESCC(C)C[C@H](N)[C@@H](O)[C@@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H23NO3/c1-7(2)6-10(13)11(14)8-4-3-5-9(8)12(15)16/h7-11,14H,3-6,13H2,1-2H3,(H,15,16)/t8-,9-,10+,11+/m1/s1
InChIKeyYPQLLEPHYDICGQ-ZNSHCXBVSA-N
XLogP1.22
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-Amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid
CID 5287976
5-Amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid
CID 6323244
5-Amino-4-hydroxy-2-isopropyl-7-methyl-octanoic acid
CID 49867250
5-Amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid
CID 5748410
(2s,4s,5s)-5-Azido-4-hydroxy-2-isopropyl-7-methyloctanoic acid
CID 56635989
(4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid
CID 5289119
Leu-hydroxyethylene-leu
CID 49867254
(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
CID 137347972
(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid
CID 137348030
5-Amino-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoic acid
CID 3509872
5-Amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid
CID 4627784
(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid
CID 10083148

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid (CID 137348029) is trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid is CC(C)C[C@H](N)[C@@H](O)[C@@H]1CCC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid?
The InChIKey is YPQLLEPHYDICGQ-ZNSHCXBVSA-N. The full InChI is InChI=1S/C12H23NO3/c1-7(2)6-10(13)11(14)8-4-3-5-9(8)12(15)16/h7-11,14H,3-6,13H2,1-2H3,(H,15,16)/t8-,9-,10+,11+/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 137348029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).