2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid

C14H24N2O3 — CID 79878699

IUPAC2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid
SMILESCC1(C)CCCC1NC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O3/c1-13(2)8-4-5-10(13)15-12(19)16-14(3,11(17)18)9-6-7-9/h9-10H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyKVGXNQVRDRWXDV-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.12
Rot. Bonds4

About 2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid

2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid (PubChem CID 79878699) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid
PubChem CID79878699
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid
SMILESCC1(C)CCCC1NC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O3/c1-13(2)8-4-5-10(13)15-12(19)16-14(3,11(17)18)9-6-7-9/h9-10H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyKVGXNQVRDRWXDV-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 79877770
N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79872163
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474536
1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79872847
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid
CID 79870141
4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 79877852
1-[(2,2-dimethylcyclohexyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 79878705
3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79871536
3-(2,2-dimethylcyclopentyl)-1,1-dimethylurea
CID 115680560
2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid (CID 79878699) is 2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid is CC1(C)CCCC1NC(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid?
The InChIKey is KVGXNQVRDRWXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2)8-4-5-10(13)15-12(19)16-14(3,11(17)18)9-6-7-9/h9-10H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid?
2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 79878699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).