(2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide

C8H17N3O3 — CID 50913273

IUPAC(2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide
SMILESC[C@H](NC(=O)NC(C)(C)C)C(=O)NO
InChIInChI=1S/C8H17N3O3/c1-5(6(12)11-14)9-7(13)10-8(2,3)4/h5,14H,1-4H3,(H,11,12)(H2,9,10,13)/t5-/m0/s1
InChIKeyNOKJBVCPHGJAGW-YFKPBYRVSA-N
MW203.24 g/mol
LogP-0.02
Rot. Bonds2

About (2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide

(2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide (PubChem CID 50913273) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide
PubChem CID50913273
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name(2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide
SMILESC[C@H](NC(=O)NC(C)(C)C)C(=O)NO
InChIInChI=1S/C8H17N3O3/c1-5(6(12)11-14)9-7(13)10-8(2,3)4/h5,14H,1-4H3,(H,11,12)(H2,9,10,13)/t5-/m0/s1
InChIKeyNOKJBVCPHGJAGW-YFKPBYRVSA-N
XLogP-0.02
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide?
The IUPAC name of (2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide (CID 50913273) is (2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide.
What is the SMILES notation for (2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide?
The canonical SMILES for (2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide is C[C@H](NC(=O)NC(C)(C)C)C(=O)NO.
What is the InChIKey of (2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide?
The InChIKey is NOKJBVCPHGJAGW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-5(6(12)11-14)9-7(13)10-8(2,3)4/h5,14H,1-4H3,(H,11,12)(H2,9,10,13)/t5-/m0/s1.
What are the key properties of (2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide?
(2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide has a molecular weight of 203.24 g/mol, XLogP of -0.02, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylcarbamoylamino)-N-hydroxypropanamide is sourced from PubChem (CID 50913273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).