2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide

C7H14N4O3 — CID 62921571

IUPAC2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide
SMILESCC(N)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C7H14N4O3/c1-4(8)7(14)11(2-5(9)12)3-6(10)13/h4H,2-3,8H2,1H3,(H2,9,12)(H2,10,13)
InChIKeyBNKNIHQERZBENK-UHFFFAOYSA-N
MW202.21 g/mol
LogP-2.87
Rot. Bonds5

About 2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide

2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide (PubChem CID 62921571) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide.

Molecular Properties

Compound Name2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide
PubChem CID62921571
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC Name2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide
SMILESCC(N)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C7H14N4O3/c1-4(8)7(14)11(2-5(9)12)3-6(10)13/h4H,2-3,8H2,1H3,(H2,9,12)(H2,10,13)
InChIKeyBNKNIHQERZBENK-UHFFFAOYSA-N
XLogP-2.87
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-2.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
CID 62921574
(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide
CID 62922094
2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
CID 76977906
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide
CID 103102016
2-amino-N,N-bis(2-methylpropyl)propanamide
CID 43588746
N-(2-amino-2-oxoethyl)-N-(2-hydroxypropyl)-2-methylpropanamide
CID 177356827
(2S)-2-amino-N,N-bis(3-methylbutyl)propanamide
CID 61147605
2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid
CID 107434098
(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpropanamide
CID 78972200
2-amino-N-ethyl-N-(2-methylpropyl)propanamide
CID 43273810
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
CID 79013579
(2R)-2-amino-N-ethyl-N-(2-methylbutyl)propanamide
CID 79469965

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide?
The IUPAC name of 2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide (CID 62921571) is 2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide.
What is the SMILES notation for 2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide?
The canonical SMILES for 2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide is CC(N)C(=O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide?
The InChIKey is BNKNIHQERZBENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3/c1-4(8)7(14)11(2-5(9)12)3-6(10)13/h4H,2-3,8H2,1H3,(H2,9,12)(H2,10,13).
What are the key properties of 2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide?
2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide has a molecular weight of 202.21 g/mol, XLogP of -2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide is sourced from PubChem (CID 62921571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).