(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate

C5H11N3O3 — CID 175155261

IUPAC(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate
SMILES[H]/N=C(\N)C(O)C(C)OC(N)=O
InChIInChI=1S/C5H11N3O3/c1-2(11-5(8)10)3(9)4(6)7/h2-3,9H,1H3,(H3,6,7)(H2,8,10)
InChIKeyARIOMANORBOIPE-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.23
Rot. Bonds3

About (4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate

(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate (PubChem CID 175155261) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is (4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate.

Molecular Properties

Compound Name(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate
PubChem CID175155261
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate
SMILES[H]/N=C(\N)C(O)C(C)OC(N)=O
InChIInChI=1S/C5H11N3O3/c1-2(11-5(8)10)3(9)4(6)7/h2-3,9H,1H3,(H3,6,7)(H2,8,10)
InChIKeyARIOMANORBOIPE-UHFFFAOYSA-N
XLogP-1.23
TPSA122.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxybutan-2-yl carbamate
CID 20700654
[(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid
CID 118525619
2-methylpropanimidamide;hydrochloride
CID 2782053
3-methoxybutan-2-yl carbamate
CID 88788189
(2R)-2-hydroxypropanimidamide;hydrochloride
CID 42614222
(4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate
CID 174596017
(3-carbamoyloxy-4-methylpentan-2-yl) carbamate
CID 140688379
[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
CID 171574297
azane;propan-2-yl carbamate
CID 172769477
(2R)-2-methoxypropanimidamide
CID 11768515
(1-fluoro-1-oxopropan-2-yl) carbamate
CID 118471736
3-hydroxyhex-5-yn-2-yl carbamate
CID 175152503

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate?
The IUPAC name of (4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate (CID 175155261) is (4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate.
What is the SMILES notation for (4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate?
The canonical SMILES for (4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate is [H]/N=C(\N)C(O)C(C)OC(N)=O.
What is the InChIKey of (4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate?
The InChIKey is ARIOMANORBOIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3/c1-2(11-5(8)10)3(9)4(6)7/h2-3,9H,1H3,(H3,6,7)(H2,8,10).
What are the key properties of (4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate?
(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate has a molecular weight of 161.16 g/mol, XLogP of -1.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate is sourced from PubChem (CID 175155261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).