2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid

C10H20N2O3 — CID 79268327

IUPAC2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid
SMILESCCC(C(N)=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-5-7(9(11)15)12(6-8(13)14)10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,15)(H,13,14)
InChIKeyAYQHKSOGTZNAPQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.44
Rot. Bonds5

About 2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid

2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid (PubChem CID 79268327) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid
PubChem CID79268327
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid
SMILESCCC(C(N)=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-5-7(9(11)15)12(6-8(13)14)10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,15)(H,13,14)
InChIKeyAYQHKSOGTZNAPQ-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 79269555
2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid
CID 79268714
(4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid
CID 18605764
2-[tert-butyl(ethyl)amino]propanamide
CID 82040439
2-[bis(carboxymethyl)amino]butanoic acid
CID 22935674
(2S)-2-[bis(carboxymethyl)amino]butanoic acid
CID 18664115
3-[(1-amino-1-oxobutan-2-yl)-ethylamino]propanoic acid
CID 62900252
N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide
CID 123689568
2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid
CID 60833253
2-[tert-butyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid
CID 79268870
2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid
CID 115496222
2-[methyl(propyl)amino]butanamide
CID 62900463

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid?
The IUPAC name of 2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid (CID 79268327) is 2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid.
What is the SMILES notation for 2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid?
The canonical SMILES for 2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid is CCC(C(N)=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid?
The InChIKey is AYQHKSOGTZNAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-7(9(11)15)12(6-8(13)14)10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,15)(H,13,14).
What are the key properties of 2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid?
2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid is sourced from PubChem (CID 79268327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).