2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid

C12H22N2O3 — CID 64814582

IUPAC2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCNC(C)(C)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-13-12(2,3)11(17)14-9-7-5-6-8(9)10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyRKVDPNFLAUDBMG-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.74
Rot. Bonds5

About 2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid

2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64814582) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64814582
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCNC(C)(C)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-13-12(2,3)11(17)14-9-7-5-6-8(9)10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyRKVDPNFLAUDBMG-UHFFFAOYSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid (CID 64814582) is 2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid is CCNC(C)(C)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is RKVDPNFLAUDBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-13-12(2,3)11(17)14-9-7-5-6-8(9)10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64814582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).