1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid

C9H14BrNO3 — CID 59902421

IUPAC1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESC[C@H](Br)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C9H14BrNO3/c1-6(10)7(12)11-9(8(13)14)4-2-3-5-9/h6H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyATPNZBOTHBKJMA-LURJTMIESA-N
MW264.12 g/mol
LogP1.28
Rot. Bonds3

About 1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid

1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 59902421) has the molecular formula C9H14BrNO3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID59902421
Molecular FormulaC9H14BrNO3
Molecular Weight264.12 g/mol
Exact Mass263.02
IUPAC Name1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESC[C@H](Br)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C9H14BrNO3/c1-6(10)7(12)11-9(8(13)14)4-2-3-5-9/h6H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyATPNZBOTHBKJMA-LURJTMIESA-N
XLogP1.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
CID 115282657
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 107905156
1-(2-methylsulfonylpropanoylamino)cyclobutane-1-carboxylic acid
CID 115910149
1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid
CID 82984418
1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 103309120
1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 43358914
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 76894061
1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 119132497
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid (CID 59902421) is 1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid is C[C@H](Br)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ATPNZBOTHBKJMA-LURJTMIESA-N. The full InChI is InChI=1S/C9H14BrNO3/c1-6(10)7(12)11-9(8(13)14)4-2-3-5-9/h6H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-/m0/s1.
What are the key properties of 1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid?
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 264.12 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 59902421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).