2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide

C9H18N4O3 — CID 62921574

IUPAC2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C9H18N4O3/c1-5(2)8(12)9(16)13(3-6(10)14)4-7(11)15/h5,8H,3-4,12H2,1-2H3,(H2,10,14)(H2,11,15)
InChIKeyNGTWFZDBQPQLCL-UHFFFAOYSA-N
MW230.27 g/mol
LogP-2.23
Rot. Bonds6

About 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide

2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide (PubChem CID 62921574) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
PubChem CID62921574
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C9H18N4O3/c1-5(2)8(12)9(16)13(3-6(10)14)4-7(11)15/h5,8H,3-4,12H2,1-2H3,(H2,10,14)(H2,11,15)
InChIKeyNGTWFZDBQPQLCL-UHFFFAOYSA-N
XLogP-2.23
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
CID 79013579
2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide
CID 62921571
2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
CID 76977906
(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide
CID 62922094
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide
CID 103102016
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
2-amino-N,3-dimethyl-N-(2-oxopropyl)butanamide;ethane
CID 143701294
3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one
CID 158014826
(2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide
CID 79012331
(2R)-2-amino-N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 79012433
(2R)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-propylbutanamide
CID 79012704

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide (CID 62921574) is 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide is CC(C)C(N)C(=O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide?
The InChIKey is NGTWFZDBQPQLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-5(2)8(12)9(16)13(3-6(10)14)4-7(11)15/h5,8H,3-4,12H2,1-2H3,(H2,10,14)(H2,11,15).
What are the key properties of 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide?
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide has a molecular weight of 230.27 g/mol, XLogP of -2.23, 6 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)-3-methylbutanamide is sourced from PubChem (CID 62921574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).