[(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid

C9H16N4O4 — CID 175826257

IUPAC[(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid
SMILES[N-]=[N+]=NCC(C1CC1)C(O)[C@H](CO)NC(=O)O
InChIInChI=1S/C9H16N4O4/c10-13-11-3-6(5-1-2-5)8(15)7(4-14)12-9(16)17/h5-8,12,14-15H,1-4H2,(H,16,17)/t6?,7-,8?/m0/s1
InChIKeyRWBWWXBHTWFGFN-WTIBDHCWSA-N
MW244.25 g/mol
LogP0.31
Rot. Bonds7

About [(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid

[(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid (PubChem CID 175826257) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is [(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid
PubChem CID175826257
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name[(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid
SMILES[N-]=[N+]=NCC(C1CC1)C(O)[C@H](CO)NC(=O)O
InChIInChI=1S/C9H16N4O4/c10-13-11-3-6(5-1-2-5)8(15)7(4-14)12-9(16)17/h5-8,12,14-15H,1-4H2,(H,16,17)/t6?,7-,8?/m0/s1
InChIKeyRWBWWXBHTWFGFN-WTIBDHCWSA-N
XLogP0.31
TPSA138.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid?
The IUPAC name of [(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid (CID 175826257) is [(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid is [N-]=[N+]=NCC(C1CC1)C(O)[C@H](CO)NC(=O)O.
What is the InChIKey of [(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid?
The InChIKey is RWBWWXBHTWFGFN-WTIBDHCWSA-N. The full InChI is InChI=1S/C9H16N4O4/c10-13-11-3-6(5-1-2-5)8(15)7(4-14)12-9(16)17/h5-8,12,14-15H,1-4H2,(H,16,17)/t6?,7-,8?/m0/s1.
What are the key properties of [(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid?
[(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid has a molecular weight of 244.25 g/mol, XLogP of 0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl]carbamic acid is sourced from PubChem (CID 175826257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).