2-[butan-2-yl(propan-2-yl)amino]acetic acid

C9H19NO2 — CID 60839836

IUPAC2-[butan-2-yl(propan-2-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(4)10(7(2)3)6-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyJNMQVSVXBPANAO-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.58
Rot. Bonds5

About 2-[butan-2-yl(propan-2-yl)amino]acetic acid

2-[butan-2-yl(propan-2-yl)amino]acetic acid (PubChem CID 60839836) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[butan-2-yl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(propan-2-yl)amino]acetic acid
PubChem CID60839836
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[butan-2-yl(propan-2-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(4)10(7(2)3)6-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyJNMQVSVXBPANAO-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid
CID 60833253
2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid
CID 87096245
2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54925908
2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54925907
2-[[1-(dimethylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetic acid
CID 60838093
2-[1-cyclopropylethyl(propan-2-yl)amino]acetic acid
CID 65057237
2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid
CID 114081567
2-[1-(4-bromophenyl)ethyl-butan-2-ylamino]acetic acid
CID 65057440
2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 54925680
2-[butan-2-yl-[1-(5-methylfuran-2-yl)ethyl]amino]acetic acid
CID 65058039
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
N-ethyl-N-propan-2-ylbutan-2-amine
CID 20659804

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(propan-2-yl)amino]acetic acid (CID 60839836) is 2-[butan-2-yl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(propan-2-yl)amino]acetic acid is CCC(C)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[butan-2-yl(propan-2-yl)amino]acetic acid?
The InChIKey is JNMQVSVXBPANAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-8(4)10(7(2)3)6-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-[butan-2-yl(propan-2-yl)amino]acetic acid?
2-[butan-2-yl(propan-2-yl)amino]acetic acid has a molecular weight of 173.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 60839836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).