tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate

C19H31N3O2 — CID 131010587

IUPACtert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(CN)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C19H31N3O2/c1-14(21-18(23)24-19(2,3)4)17(12-20)22(16-10-11-16)13-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13,20H2,1-4H3,(H,21,23)
InChIKeyPNLBRJSDDLIXOL-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.89
Rot. Bonds7

About tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate

tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate (PubChem CID 131010587) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate
PubChem CID131010587
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Nametert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(CN)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C19H31N3O2/c1-14(21-18(23)24-19(2,3)4)17(12-20)22(16-10-11-16)13-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13,20H2,1-4H3,(H,21,23)
InChIKeyPNLBRJSDDLIXOL-UHFFFAOYSA-N
XLogP2.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate
CID 130935352
tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate
CID 130834870
tert-butyl N-[4-amino-3-[benzyl(methyl)amino]-2-methylbutyl]carbamate
CID 130604556
tert-butyl N-[4-amino-3-[methyl-[(4-methylphenyl)methyl]amino]butan-2-yl]carbamate
CID 102729509
tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate
CID 102730487
tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate
CID 102729640
tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
CID 96581873
tert-butyl N-[(1S,2S)-1-[benzyl(hydroxy)amino]-1-cyanopropan-2-yl]carbamate
CID 7056297
(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 70496555
tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-methyl-5-phenylmethoxypentan-2-yl]carbamate
CID 10947274
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 86921437

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate (CID 131010587) is tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(CN)N(Cc1ccccc1)C1CC1.
What is the InChIKey of tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate?
The InChIKey is PNLBRJSDDLIXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(21-18(23)24-19(2,3)4)17(12-20)22(16-10-11-16)13-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13,20H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate?
tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate has a molecular weight of 333.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 131010587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).