(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid

C14H27NO2 — CID 122100235

IUPAC(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NCCCC1CCCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-3-11(2)13(14(16)17)15-10-6-9-12-7-4-5-8-12/h11-13,15H,3-10H2,1-2H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyIJTHCDDSSXKZAD-AAEUAGOBSA-N
MW241.37 g/mol
LogP3.05
Rot. Bonds8

About (2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid

(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid (PubChem CID 122100235) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid
PubChem CID122100235
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NCCCC1CCCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-3-11(2)13(14(16)17)15-10-6-9-12-7-4-5-8-12/h11-13,15H,3-10H2,1-2H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyIJTHCDDSSXKZAD-AAEUAGOBSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-(2-cyclohexylethylcarbamoylamino)-3-methylpentanoic acid
CID 61206115
2-(2-cyclopentylethylamino)-3-methylbutanoic acid
CID 103240062
2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid
CID 120520784
2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
CID 119724279
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
(2S,3S)-3-methyl-2-(propylamino)pentanoic acid
CID 140981705
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
(2S,3S)-2-(3-cyclopropylpropanoylamino)-3-methylpentanoic acid
CID 103790464
(2S)-3-methyl-2-(3-sulfopropylamino)pentanoic acid
CID 58931838
(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
CID 71365518
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151
N-(3-cyclopentylpropyl)-5-methylheptan-3-amine
CID 114136708

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid (CID 122100235) is (2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid is CC[C@H](C)[C@H](NCCCC1CCCC1)C(=O)O.
What is the InChIKey of (2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid?
The InChIKey is IJTHCDDSSXKZAD-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-11(2)13(14(16)17)15-10-6-9-12-7-4-5-8-12/h11-13,15H,3-10H2,1-2H3,(H,16,17)/t11-,13-/m0/s1.
What are the key properties of (2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid?
(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid is sourced from PubChem (CID 122100235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).