N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide

C7H10N4O2 — CID 126980828

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide
SMILESC[C@@H](NC(=O)n1ccnc1)C(N)=O
InChIInChI=1S/C7H10N4O2/c1-5(6(8)12)10-7(13)11-3-2-9-4-11/h2-5H,1H3,(H2,8,12)(H,10,13)/t5-/m1/s1
InChIKeyPMNIPDJVVFSLED-RXMQYKEDSA-N
MW182.18 g/mol
LogP-0.69
Rot. Bonds2

About N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide

N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide (PubChem CID 126980828) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide
PubChem CID126980828
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide
SMILESC[C@@H](NC(=O)n1ccnc1)C(N)=O
InChIInChI=1S/C7H10N4O2/c1-5(6(8)12)10-7(13)11-3-2-9-4-11/h2-5H,1H3,(H2,8,12)(H,10,13)/t5-/m1/s1
InChIKeyPMNIPDJVVFSLED-RXMQYKEDSA-N
XLogP-0.69
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide (CID 126980828) is N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide is C[C@@H](NC(=O)n1ccnc1)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide?
The InChIKey is PMNIPDJVVFSLED-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-5(6(8)12)10-7(13)11-3-2-9-4-11/h2-5H,1H3,(H2,8,12)(H,10,13)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide has a molecular weight of 182.18 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 126980828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).