cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid

C10H18N2O3 — CID 106322701

IUPACcis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(N)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-2-8(11)9(13)12-7-4-3-6(5-7)10(14)15/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7+,8?/m1/s1
InChIKeyXAGUHTIFOVQMAB-KVARREAHSA-N
MW214.26 g/mol
LogP0.09
Rot. Bonds4

About cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106322701) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
PubChem CID106322701
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namecis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(N)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-2-8(11)9(13)12-7-4-3-6(5-7)10(14)15/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7+,8?/m1/s1
InChIKeyXAGUHTIFOVQMAB-KVARREAHSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3R,4R)-3-(1-acetamido-2-ethyl-butyl)-4-amino-cyclopentanecarboxylic acid
CID 15954395
3-(1-Acetamido-2-ethyl-butyl)-4-amino-cyclopentanecarboxylic acid
CID 15954396
(3S)-5-methyl-3-({[(2S)-pyrrolidin-2-yl]formamido}methyl)hexanoic acid
CID 65493300
(3S)-3-[(2-amino-3-methylbutanamido)methyl]-5-methylhexanoic acid
CID 65493705
(3S)-3-(((2S)-2-amino-4-methylpentanamido)methyl)-5-methylhexanoic acid hydrochloride
CID 121553353
3-[(1-Cyanocyclopentanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 75517058
3-(Acetamidomethyl)-4-aminocyclopentane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 157694372
(1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid
CID 170330280
(1S,3S,4S)-3-(1-acetamido-2-ethyl-butyl)-4-amino-cyclopentanecarboxylic acid
CID 15954386
(5R)-5-acetamido-4-aminohexanoic acid
CID 44241492
rac-(1R,3S)-3-(trifluoroacetamido)cyclopentane-1-carboxylic acid
CID 11107015
3-[(2,2,2-Trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 65998260

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid (CID 106322701) is cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid is CCC(N)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is XAGUHTIFOVQMAB-KVARREAHSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-8(11)9(13)12-7-4-3-6(5-7)10(14)15/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7+,8?/m1/s1.
What are the key properties of cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106322701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).