[(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid

C5H11N3O3 — CID 118525619

IUPAC[(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid
SMILES[H]/N=C(\N)C(O)[C@H](C)NC(=O)O
InChIInChI=1S/C5H11N3O3/c1-2(8-5(10)11)3(9)4(6)7/h2-3,8-9H,1H3,(H3,6,7)(H,10,11)/t2-,3?/m0/s1
InChIKeyWNLOGQNSGGPPCL-SCQFTWEKSA-N
MW161.16 g/mol
LogP-1.06
Rot. Bonds3

About [(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid

[(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid (PubChem CID 118525619) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is [(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid
PubChem CID118525619
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name[(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid
SMILES[H]/N=C(\N)C(O)[C@H](C)NC(=O)O
InChIInChI=1S/C5H11N3O3/c1-2(8-5(10)11)3(9)4(6)7/h2-3,8-9H,1H3,(H3,6,7)(H,10,11)/t2-,3?/m0/s1
InChIKeyWNLOGQNSGGPPCL-SCQFTWEKSA-N
XLogP-1.06
TPSA119.43 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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

(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate
CID 175155261
N-(1-amino-1-iminopropan-2-yl)acetamide
CID 172748430
2-methylpropanimidamide;hydrochloride
CID 2782053
(2R)-2-hydroxypropanimidamide;hydrochloride
CID 42614222
(3-amino-2-carbamimidoyl-3-iminopropyl)carbamic acid
CID 141220669
[(2R)-1-amino-1-oxopropan-2-yl]carbamic acid
CID 66814352
2,3,4,5-tetrahydroxyheptanimidamide
CID 163818041
[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid
CID 118589539
[(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid
CID 90043769
2-[(3-amino-3-imino-2-methylpropyl)amino]acetic acid
CID 150861077
(1-amino-1-methoxypropan-2-yl)carbamic acid
CID 87325359
[(2S)-1-cyano-1-hydroxypropan-2-yl]carbamic acid
CID 87508352

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid?
The IUPAC name of [(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid (CID 118525619) is [(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid is [H]/N=C(\N)C(O)[C@H](C)NC(=O)O.
What is the InChIKey of [(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid?
The InChIKey is WNLOGQNSGGPPCL-SCQFTWEKSA-N. The full InChI is InChI=1S/C5H11N3O3/c1-2(8-5(10)11)3(9)4(6)7/h2-3,8-9H,1H3,(H3,6,7)(H,10,11)/t2-,3?/m0/s1.
What are the key properties of [(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid?
[(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid has a molecular weight of 161.16 g/mol, XLogP of -1.06, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid is sourced from PubChem (CID 118525619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).