3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid

C15H26N2O3 — CID 64522773

IUPAC3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)17(9-8-13(18)19)14(20)16(12-6-7-12)10-11-4-5-11/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyPZJVRTXNFFONLR-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.56
Rot. Bonds6

About 3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid

3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 64522773) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
PubChem CID64522773
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)17(9-8-13(18)19)14(20)16(12-6-7-12)10-11-4-5-11/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyPZJVRTXNFFONLR-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid (CID 64522773) is 3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid is CC(C)(C)N(CCC(=O)O)C(=O)N(CC1CC1)C1CC1.
What is the InChIKey of 3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is PZJVRTXNFFONLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2,3)17(9-8-13(18)19)14(20)16(12-6-7-12)10-11-4-5-11/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid?
3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 64522773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).