cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate

C20H27N5O4 — CID 145488282

IUPACcis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C20H27N5O4/c1-29-20(28)13-6-4-7-14(13)23-18(26)15(8-5-10-21)24-19(27)16-12-25-11-3-2-9-17(25)22-16/h2-3,9,11-15H,4-8,10,21H2,1H3,(H,23,26)(H,24,27)/t13-,14+,15+/m1/s1
InChIKeyLQLYQQOQQGMVSX-ILXRZTDVSA-N
MW401.47 g/mol
LogP0.63
Rot. Bonds8

About cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate

cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate (PubChem CID 145488282) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate
PubChem CID145488282
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Namecis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C20H27N5O4/c1-29-20(28)13-6-4-7-14(13)23-18(26)15(8-5-10-21)24-19(27)16-12-25-11-3-2-9-17(25)22-16/h2-3,9,11-15H,4-8,10,21H2,1H3,(H,23,26)(H,24,27)/t13-,14+,15+/m1/s1
InChIKeyLQLYQQOQQGMVSX-ILXRZTDVSA-N
XLogP0.63
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate (CID 145488282) is cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate is COC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)c1cn2ccccc2n1.
What is the InChIKey of cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate?
The InChIKey is LQLYQQOQQGMVSX-ILXRZTDVSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-29-20(28)13-6-4-7-14(13)23-18(26)15(8-5-10-21)24-19(27)16-12-25-11-3-2-9-17(25)22-16/h2-3,9,11-15H,4-8,10,21H2,1H3,(H,23,26)(H,24,27)/t13-,14+,15+/m1/s1.
What are the key properties of cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate?
cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 0.63, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 145488282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).