tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate

C10H19N3O3 — CID 162739122

IUPACtert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(N)C[C@@H]1CCNC1=O
InChIInChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13(11)6-7-4-5-12-8(7)14/h7H,4-6,11H2,1-3H3,(H,12,14)/t7-/m0/s1
InChIKeyCGIURGTVQBHLAK-ZETCQYMHSA-N
MW229.28 g/mol
LogP0.23
Rot. Bonds2

About tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate

tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate (PubChem CID 162739122) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate
PubChem CID162739122
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Nametert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(N)C[C@@H]1CCNC1=O
InChIInChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13(11)6-7-4-5-12-8(7)14/h7H,4-6,11H2,1-3H3,(H,12,14)/t7-/m0/s1
InChIKeyCGIURGTVQBHLAK-ZETCQYMHSA-N
XLogP0.23
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate
CID 105467597
tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate
CID 165399236
ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 142046248
tert-butyl (4S)-2-methoxy-3-oxo-4-[(2-oxopyrrolidin-3-yl)methyl]diazetidine-1-carboxylate
CID 130394429
3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one
CID 165399319
tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate
CID 157044319
tert-butyl N-[(2S)-3,4,4-trihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamate
CID 166936770
tert-butyl N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-en-2-yl]carbamate
CID 162695922
tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate
CID 129359149
methyl 2-[[3-cyclobutyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175458211
tert-butyl N-[(3S)-1-[(2-chloroacetyl)-[[(3S)-2-oxopyrrolidin-3-yl]methyl]amino]-5-methyl-2-oxohexan-3-yl]carbamate
CID 165384466
3,3-dimethylbutan-2-one;3-(2,2-dimethylpropyl)piperidin-2-one;3-(2,2-dimethylpropyl)pyrrolidin-2-one
CID 162064096

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate (CID 162739122) is tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)N(N)C[C@@H]1CCNC1=O.
What is the InChIKey of tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate?
The InChIKey is CGIURGTVQBHLAK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13(11)6-7-4-5-12-8(7)14/h7H,4-6,11H2,1-3H3,(H,12,14)/t7-/m0/s1.
What are the key properties of tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate?
tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate has a molecular weight of 229.28 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 162739122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).