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

C10H21N3O3 — CID 154548581

IUPAC2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
SMILESCC(C)COC(=O)NCCCNC(=O)CN
InChIInChI=1S/C10H21N3O3/c1-8(2)7-16-10(15)13-5-3-4-12-9(14)6-11/h8H,3-7,11H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyFVCQWGRBWZZSSV-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.17
Rot. Bonds7

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

2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate (PubChem CID 154548581) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
PubChem CID154548581
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
SMILESCC(C)COC(=O)NCCCNC(=O)CN
InChIInChI=1S/C10H21N3O3/c1-8(2)7-16-10(15)13-5-3-4-12-9(14)6-11/h8H,3-7,11H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyFVCQWGRBWZZSSV-UHFFFAOYSA-N
XLogP-0.17
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.17
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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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate?
The IUPAC name of 2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate (CID 154548581) is 2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate is CC(C)COC(=O)NCCCNC(=O)CN.
What is the InChIKey of 2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate?
The InChIKey is FVCQWGRBWZZSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-8(2)7-16-10(15)13-5-3-4-12-9(14)6-11/h8H,3-7,11H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate?
2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate has a molecular weight of 231.30 g/mol, XLogP of -0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate is sourced from PubChem (CID 154548581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).