2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid

C10H19N3O4 — CID 107440146

IUPAC2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
SMILESCC(C)NC(=O)CCN(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H19N3O4/c1-7(2)12-9(15)3-4-13(5-8(11)14)6-10(16)17/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15)(H,16,17)
InChIKeyHRUABJNOXKVTOO-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.23
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid (PubChem CID 107440146) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
PubChem CID107440146
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
SMILESCC(C)NC(=O)CCN(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H19N3O4/c1-7(2)12-9(15)3-4-13(5-8(11)14)6-10(16)17/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15)(H,16,17)
InChIKeyHRUABJNOXKVTOO-UHFFFAOYSA-N
XLogP-1.23
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
CID 62626788
2-[[3-oxo-3-(propan-2-ylamino)propyl]-prop-2-enylamino]acetic acid
CID 79277550
2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
CID 62626971
3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 62628056
2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid
CID 107440552
2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 107440295
2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 61011603
2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid
CID 107440465
3-[ethyl(3-hydroxypropyl)amino]-N-propan-2-ylpropanamide
CID 115666414
2-[methyl-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]amino]acetic acid
CID 103995654
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbamic acid
CID 146494251
2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 51081968

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid (CID 107440146) is 2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid is CC(C)NC(=O)CCN(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid?
The InChIKey is HRUABJNOXKVTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-7(2)12-9(15)3-4-13(5-8(11)14)6-10(16)17/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid is sourced from PubChem (CID 107440146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).