2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid

C9H18N2O3 — CID 60833263

IUPAC2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CCC(N)=O)CC(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-7(2)11(6-9(13)14)5-4-8(10)12/h7H,3-6H2,1-2H3,(H2,10,12)(H,13,14)
InChIKeyIITFQGHVMQGUAD-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.05
Rot. Bonds7

About 2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid

2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid (PubChem CID 60833263) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
PubChem CID60833263
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CCC(N)=O)CC(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-7(2)11(6-9(13)14)5-4-8(10)12/h7H,3-6H2,1-2H3,(H2,10,12)(H,13,14)
InChIKeyIITFQGHVMQGUAD-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butan-2-yl(butyl)amino]propanamide
CID 60648074
2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
CID 61484904
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid
CID 61008085
2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid
CID 60832957
2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid
CID 61201518
2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid
CID 66045977
2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 54925680
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
CID 122536186
3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)
CID 145273853
2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid
CID 62923520
2-[butan-2-yl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 54957365

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid (CID 60833263) is 2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid is CCC(C)N(CCC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid?
The InChIKey is IITFQGHVMQGUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-7(2)11(6-9(13)14)5-4-8(10)12/h7H,3-6H2,1-2H3,(H2,10,12)(H,13,14).
What are the key properties of 2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid?
2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid has a molecular weight of 202.25 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid is sourced from PubChem (CID 60833263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).