2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid

C9H18N2O3 — CID 60833253

IUPAC2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(C)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-4-6(2)11(5-8(12)13)7(3)9(10)14/h6-7H,4-5H2,1-3H3,(H2,10,14)(H,12,13)
InChIKeyCWQQFLKVLIMNHF-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.05
Rot. Bonds6

About 2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid

2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid (PubChem CID 60833253) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid
PubChem CID60833253
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(C)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-4-6(2)11(5-8(12)13)7(3)9(10)14/h6-7H,4-5H2,1-3H3,(H2,10,14)(H,12,13)
InChIKeyCWQQFLKVLIMNHF-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

2-[butan-2-yl(propan-2-yl)amino]acetic acid
CID 60839836
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-amino-1-oxopropan-2-yl)-propylamino]acetic acid
CID 61008085
2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid
CID 62923520
2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
CID 60833263
2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid
CID 106346590
2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid
CID 79276754
2-[1-(dimethylamino)propan-2-yl-ethylamino]propanamide
CID 103190759
2-[1-(4-bromophenyl)ethyl-butan-2-ylamino]acetic acid
CID 65057440
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid
CID 79268327

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid?
The IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid (CID 60833253) is 2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid is CCC(C)N(CC(=O)O)C(C)C(N)=O.
What is the InChIKey of 2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid?
The InChIKey is CWQQFLKVLIMNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-6(2)11(5-8(12)13)7(3)9(10)14/h6-7H,4-5H2,1-3H3,(H2,10,14)(H,12,13).
What are the key properties of 2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid?
2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid has a molecular weight of 202.25 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid is sourced from PubChem (CID 60833253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).