tert-butylcarbamoyl (2S)-2-aminopropanoate

C8H16N2O3 — CID 90807776

IUPACtert-butylcarbamoyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC(=O)NC(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-5(9)6(11)13-7(12)10-8(2,3)4/h5H,9H2,1-4H3,(H,10,12)/t5-/m0/s1
InChIKeyYMPHZNHBBLBMND-YFKPBYRVSA-N
MW188.23 g/mol
LogP0.38
Rot. Bonds1

About tert-butylcarbamoyl (2S)-2-aminopropanoate

tert-butylcarbamoyl (2S)-2-aminopropanoate (PubChem CID 90807776) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is tert-butylcarbamoyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Nametert-butylcarbamoyl (2S)-2-aminopropanoate
PubChem CID90807776
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nametert-butylcarbamoyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC(=O)NC(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-5(9)6(11)13-7(12)10-8(2,3)4/h5H,9H2,1-4H3,(H,10,12)/t5-/m0/s1
InChIKeyYMPHZNHBBLBMND-YFKPBYRVSA-N
XLogP0.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
(1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate
CID 174489750
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-aminopropanoate
CID 54386102
carbamoyl (2R)-2-aminopropanoate
CID 139238224
acetyl (2R)-2-aminopropanoate
CID 11829476
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
2-methoxypropyl N-tert-butylcarbamate
CID 174838814
methyl 2-aminopropanoate
CID 159707893
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
CID 164800238

Frequently Asked Questions

What is the IUPAC name of tert-butylcarbamoyl (2S)-2-aminopropanoate?
The IUPAC name of tert-butylcarbamoyl (2S)-2-aminopropanoate (CID 90807776) is tert-butylcarbamoyl (2S)-2-aminopropanoate.
What is the SMILES notation for tert-butylcarbamoyl (2S)-2-aminopropanoate?
The canonical SMILES for tert-butylcarbamoyl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OC(=O)NC(C)(C)C.
What is the InChIKey of tert-butylcarbamoyl (2S)-2-aminopropanoate?
The InChIKey is YMPHZNHBBLBMND-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(9)6(11)13-7(12)10-8(2,3)4/h5H,9H2,1-4H3,(H,10,12)/t5-/m0/s1.
What are the key properties of tert-butylcarbamoyl (2S)-2-aminopropanoate?
tert-butylcarbamoyl (2S)-2-aminopropanoate has a molecular weight of 188.23 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcarbamoyl (2S)-2-aminopropanoate is sourced from PubChem (CID 90807776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).