N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide

C8H14N4O5 — CID 88554016

IUPACN-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide
SMILESN/C(=N\C=O)NC(=O)N[C@H]1CC(O)[C@@H](CO)O1
InChIInChI=1S/C8H14N4O5/c9-7(10-3-14)12-8(16)11-6-1-4(15)5(2-13)17-6/h3-6,13,15H,1-2H2,(H4,9,10,11,12,14,16)/t4?,5-,6-/m1/s1
InChIKeyMJPMQCAEDYSGQK-YSLANXFLSA-N
MW246.22 g/mol
LogP-2.78
Rot. Bonds3

About N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide

N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide (PubChem CID 88554016) has the molecular formula C8H14N4O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide.

Molecular Properties

Compound NameN-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide
PubChem CID88554016
Molecular FormulaC8H14N4O5
Molecular Weight246.22 g/mol
Exact Mass246.10
IUPAC NameN-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide
SMILESN/C(=N\C=O)NC(=O)N[C@H]1CC(O)[C@@H](CO)O1
InChIInChI=1S/C8H14N4O5/c9-7(10-3-14)12-8(16)11-6-1-4(15)5(2-13)17-6/h3-6,13,15H,1-2H2,(H4,9,10,11,12,14,16)/t4?,5-,6-/m1/s1
InChIKeyMJPMQCAEDYSGQK-YSLANXFLSA-N
XLogP-2.78
TPSA146.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-2.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide
CID 58621937
N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide
CID 163445981
(E)-N-[4-amino-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-formamidoprop-2-enamide
CID 134268043
5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 53486720
1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea
CID 100968710
(2R,3S,5S)-5-[4-[4-[[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]anilino]-2-(hydroxymethyl)oxolan-3-ol
CID 98246477
(2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol
CID 1126499
(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol
CID 67099694
N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate
CID 42626587
(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
CID 101368145
N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide
CID 101170283
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052

Frequently Asked Questions

What is the IUPAC name of N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide?
The IUPAC name of N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide (CID 88554016) is N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide.
What is the SMILES notation for N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide?
The canonical SMILES for N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide is N/C(=N\C=O)NC(=O)N[C@H]1CC(O)[C@@H](CO)O1.
What is the InChIKey of N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide?
The InChIKey is MJPMQCAEDYSGQK-YSLANXFLSA-N. The full InChI is InChI=1S/C8H14N4O5/c9-7(10-3-14)12-8(16)11-6-1-4(15)5(2-13)17-6/h3-6,13,15H,1-2H2,(H4,9,10,11,12,14,16)/t4?,5-,6-/m1/s1.
What are the key properties of N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide?
N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide has a molecular weight of 246.22 g/mol, XLogP of -2.78, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide is sourced from PubChem (CID 88554016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).