2-[(3-amino-3-oxopropyl)amino]ethyl carbamate

C6H13N3O3 — CID 83211468

IUPAC2-[(3-amino-3-oxopropyl)amino]ethyl carbamate
SMILESNC(=O)CCNCCOC(N)=O
InChIInChI=1S/C6H13N3O3/c7-5(10)1-2-9-3-4-12-6(8)11/h9H,1-4H2,(H2,7,10)(H2,8,11)
InChIKeyVJXDDJQLZKFEED-UHFFFAOYSA-N
MW175.19 g/mol
LogP-1.45
Rot. Bonds6

About 2-[(3-amino-3-oxopropyl)amino]ethyl carbamate

2-[(3-amino-3-oxopropyl)amino]ethyl carbamate (PubChem CID 83211468) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-[(3-amino-3-oxopropyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-amino-3-oxopropyl)amino]ethyl carbamate
PubChem CID83211468
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name2-[(3-amino-3-oxopropyl)amino]ethyl carbamate
SMILESNC(=O)CCNCCOC(N)=O
InChIInChI=1S/C6H13N3O3/c7-5(10)1-2-9-3-4-12-6(8)11/h9H,1-4H2,(H2,7,10)(H2,8,11)
InChIKeyVJXDDJQLZKFEED-UHFFFAOYSA-N
XLogP-1.45
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.45
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

2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate
CID 83203983
2-(3-aminopropylamino)ethyl carbamate
CID 83209629
5-(2-carbamoyloxyethylamino)pentanoic acid
CID 103262155
3-(aminomethylamino)propanamide
CID 123274483
2-(4-methylpentylamino)ethyl carbamate
CID 83210369
3-(3-propan-2-yloxypropylamino)propanamide
CID 2502548
2-(2-bromoprop-2-enylamino)ethyl carbamate
CID 83211675
2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate
CID 83204997
3-(2-azidoethylamino)propanamide
CID 89151480
3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
ethyl 2-(2-carbamoyloxyethylamino)acetate
CID 83209785
ethane;3-(ethylamino)propanamide
CID 156743022

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-oxopropyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-amino-3-oxopropyl)amino]ethyl carbamate (CID 83211468) is 2-[(3-amino-3-oxopropyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-amino-3-oxopropyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-amino-3-oxopropyl)amino]ethyl carbamate is NC(=O)CCNCCOC(N)=O.
What is the InChIKey of 2-[(3-amino-3-oxopropyl)amino]ethyl carbamate?
The InChIKey is VJXDDJQLZKFEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c7-5(10)1-2-9-3-4-12-6(8)11/h9H,1-4H2,(H2,7,10)(H2,8,11).
What are the key properties of 2-[(3-amino-3-oxopropyl)amino]ethyl carbamate?
2-[(3-amino-3-oxopropyl)amino]ethyl carbamate has a molecular weight of 175.19 g/mol, XLogP of -1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-oxopropyl)amino]ethyl carbamate is sourced from PubChem (CID 83211468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).