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

C12H20N2O3 — CID 114173491

IUPACcis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(N)(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C1CC1
InChIInChI=1S/C12H20N2O3/c1-12(13,8-3-4-8)11(17)14-9-5-2-7(6-9)10(15)16/h7-9H,2-6,13H2,1H3,(H,14,17)(H,15,16)/t7-,9+,12?/m1/s1
InChIKeyKPNWYEUYJNCWPY-ZYKPYLKRSA-N
MW240.30 g/mol
LogP0.48
Rot. Bonds4

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

cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114173491) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID114173491
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namecis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(N)(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C1CC1
InChIInChI=1S/C12H20N2O3/c1-12(13,8-3-4-8)11(17)14-9-5-2-7(6-9)10(15)16/h7-9H,2-6,13H2,1H3,(H,14,17)(H,15,16)/t7-,9+,12?/m1/s1
InChIKeyKPNWYEUYJNCWPY-ZYKPYLKRSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120675022
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-cyclopropylpropanamide
CID 60865947
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 79805526
2-amino-2-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 60866101
cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
CID 120690552
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120690503
3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]cyclopentane-1-carboxylic acid
CID 83198584
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
trans-(1R,3R)-3-tert-butylcyclopentane-1-carboxylic acid
CID 15315966
2-amino-2-cyclopropyl-N-(oxan-3-yl)propanamide
CID 63361253
4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 14788218

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid (CID 114173491) is cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid is CC(N)(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C1CC1.
What is the InChIKey of cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is KPNWYEUYJNCWPY-ZYKPYLKRSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(13,8-3-4-8)11(17)14-9-5-2-7(6-9)10(15)16/h7-9H,2-6,13H2,1H3,(H,14,17)(H,15,16)/t7-,9+,12?/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.48, 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-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).