cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid

C11H20N2O3 — CID 106322997

IUPACcis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)[C@@H](N)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-6(2)9(12)10(14)13-8-4-3-7(5-8)11(15)16/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)/t7-,8+,9-/m1/s1
InChIKeyOHWIJTKZAGTXQD-HRDYMLBCSA-N
MW228.29 g/mol
LogP0.34
Rot. Bonds4

About cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106322997) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106322997
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namecis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)[C@@H](N)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-6(2)9(12)10(14)13-8-4-3-7(5-8)11(15)16/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)/t7-,8+,9-/m1/s1
InChIKeyOHWIJTKZAGTXQD-HRDYMLBCSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.34
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-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid (CID 106322997) is cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid is CC(C)[C@@H](N)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is OHWIJTKZAGTXQD-HRDYMLBCSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-6(2)9(12)10(14)13-8-4-3-7(5-8)11(15)16/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)/t7-,8+,9-/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.34, 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-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106322997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).