(1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid

C9H17NO2 — CID 91418230

IUPAC(1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCC(C)C1CCC[C@@]1(N)C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)7-4-3-5-9(7,10)8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12)/t7?,9-/m0/s1
InChIKeyXTWVAQIFBDBUDU-NETXQHHPSA-N
MW171.24 g/mol
LogP1.22
Rot. Bonds2

About (1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid

(1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid (PubChem CID 91418230) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid
PubChem CID91418230
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCC(C)C1CCC[C@@]1(N)C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)7-4-3-5-9(7,10)8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12)/t7?,9-/m0/s1
InChIKeyXTWVAQIFBDBUDU-NETXQHHPSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of (1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid (CID 91418230) is (1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid is CC(C)C1CCC[C@@]1(N)C(=O)O.
What is the InChIKey of (1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is XTWVAQIFBDBUDU-NETXQHHPSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)7-4-3-5-9(7,10)8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12)/t7?,9-/m0/s1.
What are the key properties of (1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid?
(1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 91418230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).