2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid

C14H26N2O3 — CID 114114333

IUPAC2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCC1(C(C)C)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-6-16(13(4,5)11(17)18)12(19)15-9-14(7-8-14)10(2)3/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyIUVLBJWTWUIHBA-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds6

About 2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 114114333) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID114114333
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCC1(C(C)C)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-6-16(13(4,5)11(17)18)12(19)15-9-14(7-8-14)10(2)3/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyIUVLBJWTWUIHBA-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid (CID 114114333) is 2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)NCC1(C(C)C)CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is IUVLBJWTWUIHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-6-16(13(4,5)11(17)18)12(19)15-9-14(7-8-14)10(2)3/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18).
What are the key properties of 2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 114114333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).