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

C10H20N4O3 — CID 76977906

IUPAC2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H20N4O3/c1-10(2,3)8(13)9(17)14(4-6(11)15)5-7(12)16/h8H,4-5,13H2,1-3H3,(H2,11,15)(H2,12,16)
InChIKeyAPHFTXSCJJEYJB-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.84
Rot. Bonds5

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

2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide (PubChem CID 76977906) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
PubChem CID76977906
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H20N4O3/c1-10(2,3)8(13)9(17)14(4-6(11)15)5-7(12)16/h8H,4-5,13H2,1-3H3,(H2,11,15)(H2,12,16)
InChIKeyAPHFTXSCJJEYJB-UHFFFAOYSA-N
XLogP-1.84
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide
CID 103929250
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
CID 62921574
2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide
CID 62921571
2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide
CID 76892270
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 61156283
(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide
CID 61163638
(2R)-2-amino-N-ethyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 103929214
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]-prop-2-enylamino]acetic acid
CID 103930166
(2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide
CID 87212961
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 61156136
(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide
CID 62922094
2-amino-N,3,3-trimethylbutanehydrazide
CID 116848874

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide (CID 76977906) is 2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide is CC(C)(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)-3,3-dimethylbutanamide?
The InChIKey is APHFTXSCJJEYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-10(2,3)8(13)9(17)14(4-6(11)15)5-7(12)16/h8H,4-5,13H2,1-3H3,(H2,11,15)(H2,12,16).
What are the key properties of 2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide?
2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide has a molecular weight of 244.29 g/mol, XLogP of -1.84, 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)-3,3-dimethylbutanamide is sourced from PubChem (CID 76977906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).