tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate

C10H21N3O3 — CID 23591745

IUPACtert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC(=O)CN
InChIInChI=1S/C10H21N3O3/c1-10(2,3)16-9(15)13-6-4-5-12-8(14)7-11/h4-7,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyGVOSMCHPAPYGSH-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.02
Rot. Bonds5

About tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate

tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate (PubChem CID 23591745) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
PubChem CID23591745
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Nametert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC(=O)CN
InChIInChI=1S/C10H21N3O3/c1-10(2,3)16-9(15)13-6-4-5-12-8(14)7-11/h4-7,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyGVOSMCHPAPYGSH-UHFFFAOYSA-N
XLogP-0.02
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[(2-chloroacetyl)amino]propyl]carbamate
CID 15830736
tert-butyl N-[4-(3-aminopropanoylamino)butyl]carbamate
CID 175666351
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[3-(3-sulfanylpropanoylamino)propyl]carbamate
CID 141218784
tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate
CID 10576339
tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate
CID 18941878
tert-butyl N-[3-(iodomethoxycarbonylamino)propyl]carbamate
CID 18629483
tert-butyl N-[3-[3-[4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propylamino]butylamino]propylamino]-3-oxopropyl]carbamate
CID 10875262
trimethyl-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-2-oxoethyl]azanium iodide
CID 162384488
[2-(3-aminopropylamino)-2-oxoethyl]-trimethylazanium;trimethyl-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-2-oxoethyl]azanium;diiodide;hydrochloride
CID 166463723
tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate
CID 72943143
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate (CID 23591745) is tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNC(=O)CN.
What is the InChIKey of tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate?
The InChIKey is GVOSMCHPAPYGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-10(2,3)16-9(15)13-6-4-5-12-8(14)7-11/h4-7,11H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate?
tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate has a molecular weight of 231.30 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate is sourced from PubChem (CID 23591745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).