trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid

C8H13NO3 — CID 130649468

IUPACtrans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
SMILESO=CNC[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO3/c10-5-9-4-6-2-1-3-7(6)8(11)12/h5-7H,1-4H2,(H,9,10)(H,11,12)/t6-,7-/m1/s1
InChIKeyMWPZSWJGOQXJHG-RNFRBKRXSA-N
MW171.20 g/mol
LogP0.23
Rot. Bonds4

About trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid

trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid (PubChem CID 130649468) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
PubChem CID130649468
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nametrans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
SMILESO=CNC[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO3/c10-5-9-4-6-2-1-3-7(6)8(11)12/h5-7H,1-4H2,(H,9,10)(H,11,12)/t6-,7-/m1/s1
InChIKeyMWPZSWJGOQXJHG-RNFRBKRXSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
2-[(cyclopropylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114806457
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 83114129
trans-(1S,2R)-2-[[(2-cyanoacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755758
2-[(but-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 77103475
2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 167138546
2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79181775
2-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107000450
trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid
CID 96581659
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81169447
2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 104576051

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid (CID 130649468) is trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid is O=CNC[C@H]1CCC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid?
The InChIKey is MWPZSWJGOQXJHG-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H13NO3/c10-5-9-4-6-2-1-3-7(6)8(11)12/h5-7H,1-4H2,(H,9,10)(H,11,12)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid?
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 130649468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).