ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate

C7H15NO3 — CID 10866636

IUPACethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](CC)CO
InChIInChI=1S/C7H15NO3/c1-3-6(5-9)8-7(10)11-4-2/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1
InChIKeyNWXGDPDBQOTZRZ-LURJTMIESA-N
MW161.20 g/mol
LogP0.50
Rot. Bonds4

About ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate

ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate (PubChem CID 10866636) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
PubChem CID10866636
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](CC)CO
InChIInChI=1S/C7H15NO3/c1-3-6(5-9)8-7(10)11-4-2/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1
InChIKeyNWXGDPDBQOTZRZ-LURJTMIESA-N
XLogP0.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
ethyl N-(1-hydroxypropyl)carbamate
CID 87232302
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate
CID 71749117
ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
CID 39869686
ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
ethyl N-(1-methoxypentan-2-yl)carbamate
CID 64590516

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate?
The IUPAC name of ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate (CID 10866636) is ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate is CCOC(=O)N[C@@H](CC)CO.
What is the InChIKey of ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate?
The InChIKey is NWXGDPDBQOTZRZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-6(5-9)8-7(10)11-4-2/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1.
What are the key properties of ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate?
ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate has a molecular weight of 161.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 10866636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).