2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid

C15H25N3O3 — CID 64520803

IUPAC2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
SMILESO=C(O)CN1CCCN(C(=O)N(CC2CC2)C2CC2)CC1
InChIInChI=1S/C15H25N3O3/c19-14(20)11-16-6-1-7-17(9-8-16)15(21)18(13-4-5-13)10-12-2-3-12/h12-13H,1-11H2,(H,19,20)
InChIKeySYAYBCVZBXECJT-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.07
Rot. Bonds5

About 2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid

2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid (PubChem CID 64520803) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
PubChem CID64520803
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
SMILESO=C(O)CN1CCCN(C(=O)N(CC2CC2)C2CC2)CC1
InChIInChI=1S/C15H25N3O3/c19-14(20)11-16-6-1-7-17(9-8-16)15(21)18(13-4-5-13)10-12-2-3-12/h12-13H,1-11H2,(H,19,20)
InChIKeySYAYBCVZBXECJT-UHFFFAOYSA-N
XLogP1.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid?
The IUPAC name of 2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid (CID 64520803) is 2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid?
The canonical SMILES for 2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid is O=C(O)CN1CCCN(C(=O)N(CC2CC2)C2CC2)CC1.
What is the InChIKey of 2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid?
The InChIKey is SYAYBCVZBXECJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-14(20)11-16-6-1-7-17(9-8-16)15(21)18(13-4-5-13)10-12-2-3-12/h12-13H,1-11H2,(H,19,20).
What are the key properties of 2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid?
2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid is sourced from PubChem (CID 64520803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).