trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid

C9H17NO2 — CID 58431127

IUPACtrans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)N[C@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-6(2)10-8-4-3-7(5-8)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyTZYLWIGQWIEKSQ-YUMQZZPRSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds3

About trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid

trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 58431127) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID58431127
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nametrans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)N[C@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-6(2)10-8-4-3-7(5-8)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyTZYLWIGQWIEKSQ-YUMQZZPRSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol
CID 58404352
3-[[hydroxy(methoxy)methyl]amino]cyclopentane-1-carboxylic acid
CID 90923589
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
3-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881579
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
3-(cyclopentylamino)cyclopentane-1-carboxylic acid
CID 82933431
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120690503
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997
cis-(1R,3S)-3-[(3-amino-2-methylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322641

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid (CID 58431127) is trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid is CC(C)N[C@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is TZYLWIGQWIEKSQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)10-8-4-3-7(5-8)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8-/m0/s1.
What are the key properties of trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 58431127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).