tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate

C14H22N2O3 — CID 116860987

IUPACtert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(C1CC1)C(CO)c1cc[nH]c1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)16(11-4-5-11)12(9-17)10-6-7-15-8-10/h6-8,11-12,15,17H,4-5,9H2,1-3H3
InChIKeyNEHJFRXBKVWGBZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.45
Rot. Bonds4

About tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate

tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate (PubChem CID 116860987) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate
PubChem CID116860987
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(C1CC1)C(CO)c1cc[nH]c1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)16(11-4-5-11)12(9-17)10-6-7-15-8-10/h6-8,11-12,15,17H,4-5,9H2,1-3H3
InChIKeyNEHJFRXBKVWGBZ-UHFFFAOYSA-N
XLogP2.45
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116861036
tert-butyl N-[(2Z)-2-amino-1-(4-fluorophenyl)-2-hydroxyiminoethyl]-N-cyclopropylcarbamate
CID 121210029
tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 116860960
tert-butyl N-[1-hydroxy-3-(1H-pyrrol-3-yl)propan-2-yl]-N-methylcarbamate
CID 116861111
tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate
CID 66566034
tert-butyl N-cyclopropyl-N-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]carbamate
CID 69406259
tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate
CID 165464943
2-(3-chloro-5-fluorophenyl)-2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 104928573
2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid
CID 103696716
2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methoxy-3-methylbutanoic acid
CID 116502100
tert-butyl N-[1-amino-3-(1H-pyrrol-3-yl)propan-2-yl]-N-methylcarbamate
CID 116861059
tert-butyl N-[2-[amino(methyl)amino]-2-oxo-1-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116849035

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate (CID 116860987) is tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)N(C1CC1)C(CO)c1cc[nH]c1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate?
The InChIKey is NEHJFRXBKVWGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)16(11-4-5-11)12(9-17)10-6-7-15-8-10/h6-8,11-12,15,17H,4-5,9H2,1-3H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate?
tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate is sourced from PubChem (CID 116860987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).