2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid

C11H20N4O5 — CID 62923520

IUPAC2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H20N4O5/c1-3-7(2)15(6-10(18)19)11(20)14(4-8(12)16)5-9(13)17/h7H,3-6H2,1-2H3,(H2,12,16)(H2,13,17)(H,18,19)
InChIKeyMHRUUKIRHRRYSF-UHFFFAOYSA-N
MW288.30 g/mol
LogP-1.44
Rot. Bonds8

About 2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid

2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid (PubChem CID 62923520) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid
PubChem CID62923520
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H20N4O5/c1-3-7(2)15(6-10(18)19)11(20)14(4-8(12)16)5-9(13)17/h7H,3-6H2,1-2H3,(H2,12,16)(H2,13,17)(H,18,19)
InChIKeyMHRUUKIRHRRYSF-UHFFFAOYSA-N
XLogP-1.44
TPSA147.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid
CID 61184658
2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437486
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107438124
2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid
CID 61161299
2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 54948701
2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
CID 107435153
2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid
CID 61201518
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 61198991
2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid
CID 61186225
2-[(1-amino-1-oxopropan-2-yl)-butan-2-ylamino]acetic acid
CID 60833253

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid?
The IUPAC name of 2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid (CID 62923520) is 2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid?
The canonical SMILES for 2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid?
The InChIKey is MHRUUKIRHRRYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-3-7(2)15(6-10(18)19)11(20)14(4-8(12)16)5-9(13)17/h7H,3-6H2,1-2H3,(H2,12,16)(H2,13,17)(H,18,19).
What are the key properties of 2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid?
2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid has a molecular weight of 288.30 g/mol, XLogP of -1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid is sourced from PubChem (CID 62923520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).