2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid

C10H14N4O4 — CID 110133279

IUPAC2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]2)C1
InChIInChI=1S/C10H14N4O4/c15-8-3-14(4-9(16)17)2-7(8)13-10(18)6-1-11-5-12-6/h1,5,7-8,15H,2-4H2,(H,11,12)(H,13,18)(H,16,17)/t7-,8-/m1/s1
InChIKeyLFTBZDQLBVNTJD-HTQZYQBOSA-N
MW254.25 g/mol
LogP-1.73
Rot. Bonds4

About 2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid

2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid (PubChem CID 110133279) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid
PubChem CID110133279
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]2)C1
InChIInChI=1S/C10H14N4O4/c15-8-3-14(4-9(16)17)2-7(8)13-10(18)6-1-11-5-12-6/h1,5,7-8,15H,2-4H2,(H,11,12)(H,13,18)(H,16,17)/t7-,8-/m1/s1
InChIKeyLFTBZDQLBVNTJD-HTQZYQBOSA-N
XLogP-1.73
TPSA118.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid (CID 110133279) is 2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid is O=C(O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]2)C1.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid?
The InChIKey is LFTBZDQLBVNTJD-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-8-3-14(4-9(16)17)2-7(8)13-10(18)6-1-11-5-12-6/h1,5,7-8,15H,2-4H2,(H,11,12)(H,13,18)(H,16,17)/t7-,8-/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid?
2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid has a molecular weight of 254.25 g/mol, XLogP of -1.73, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 110133279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).