2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid

C15H26N2O4 — CID 129334460

IUPAC2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid
SMILESCOC[C@H](C)C(=O)NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C15H26N2O4/c1-10(9-21-2)15(20)16-12-5-13(6-12)17(8-14(18)19)7-11-3-4-11/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)/t10-,12?,13?/m0/s1
InChIKeyHEZGLOGZGDAUAP-PKSQDBQZSA-N
MW298.38 g/mol
LogP0.71
Rot. Bonds9

About 2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 129334460) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid
PubChem CID129334460
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid
SMILESCOC[C@H](C)C(=O)NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C15H26N2O4/c1-10(9-21-2)15(20)16-12-5-13(6-12)17(8-14(18)19)7-11-3-4-11/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)/t10-,12?,13?/m0/s1
InChIKeyHEZGLOGZGDAUAP-PKSQDBQZSA-N
XLogP0.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid (CID 129334460) is 2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid is COC[C@H](C)C(=O)NC1CC(N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is HEZGLOGZGDAUAP-PKSQDBQZSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(9-21-2)15(20)16-12-5-13(6-12)17(8-14(18)19)7-11-3-4-11/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)/t10-,12?,13?/m0/s1.
What are the key properties of 2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 129334460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).