[4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate

C10H21N3O3 — CID 69131511

IUPAC[4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)ON1CC(N)CC1CN
InChIInChI=1S/C10H21N3O3/c1-10(2,3)15-9(14)16-13-6-7(12)4-8(13)5-11/h7-8H,4-6,11-12H2,1-3H3
InChIKeyRVPIQVRWXGXMPJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.21
Rot. Bonds2

About [4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate

[4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate (PubChem CID 69131511) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is [4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate.

Molecular Properties

Compound Name[4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate
PubChem CID69131511
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name[4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)ON1CC(N)CC1CN
InChIInChI=1S/C10H21N3O3/c1-10(2,3)15-9(14)16-13-6-7(12)4-8(13)5-11/h7-8H,4-6,11-12H2,1-3H3
InChIKeyRVPIQVRWXGXMPJ-UHFFFAOYSA-N
XLogP0.21
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 131124333
tert-butyl (2R,4S)-4-amino-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 124662507
tert-butyl (1R,4S,6R)-4-(aminomethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59363697
tert-butyl 4-amino-2-azabicyclo[4.1.0]heptane-2-carboxylate
CID 117045380
tert-butyl 2-(aminomethyl)-4-methoxypyrrolidine-1-carboxylate
CID 77452832
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl 2-(aminomethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 122411574
tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate
CID 155890892
tert-butyl (3aR,5S,6aS)-5-amino-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 164557759
tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
CID 67986310
tert-butyl 3-amino-5-hydroxypiperidine-1-carboxylate
CID 83680140
tert-butyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate
CID 118796258

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate?
The IUPAC name of [4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate (CID 69131511) is [4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate.
What is the SMILES notation for [4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate?
The canonical SMILES for [4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate is CC(C)(C)OC(=O)ON1CC(N)CC1CN.
What is the InChIKey of [4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate?
The InChIKey is RVPIQVRWXGXMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-10(2,3)15-9(14)16-13-6-7(12)4-8(13)5-11/h7-8H,4-6,11-12H2,1-3H3.
What are the key properties of [4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate?
[4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate has a molecular weight of 231.30 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate is sourced from PubChem (CID 69131511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).