1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide

C12H18N4O2 — CID 126441374

IUPAC1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide
SMILESC[C@@H](C(=O)NC1(C(N)=O)CCCC1)n1ccnc1
InChIInChI=1S/C12H18N4O2/c1-9(16-7-6-14-8-16)10(17)15-12(11(13)18)4-2-3-5-12/h6-9H,2-5H2,1H3,(H2,13,18)(H,15,17)/t9-/m0/s1
InChIKeyXANXYTZBARILHY-VIFPVBQESA-N
MW250.30 g/mol
LogP0.36
Rot. Bonds4

About 1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide

1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide (PubChem CID 126441374) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide
PubChem CID126441374
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide
SMILESC[C@@H](C(=O)NC1(C(N)=O)CCCC1)n1ccnc1
InChIInChI=1S/C12H18N4O2/c1-9(16-7-6-14-8-16)10(17)15-12(11(13)18)4-2-3-5-12/h6-9H,2-5H2,1H3,(H2,13,18)(H,15,17)/t9-/m0/s1
InChIKeyXANXYTZBARILHY-VIFPVBQESA-N
XLogP0.36
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide (CID 126441374) is 1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide is C[C@@H](C(=O)NC1(C(N)=O)CCCC1)n1ccnc1.
What is the InChIKey of 1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide?
The InChIKey is XANXYTZBARILHY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(16-7-6-14-8-16)10(17)15-12(11(13)18)4-2-3-5-12/h6-9H,2-5H2,1H3,(H2,13,18)(H,15,17)/t9-/m0/s1.
What are the key properties of 1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide?
1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-imidazol-1-ylpropanoyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 126441374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).