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

C10H19N3O4 — CID 61201518

IUPAC2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCCC(N)=O
InChIInChI=1S/C10H19N3O4/c1-3-7(2)13(6-9(15)16)10(17)12-5-4-8(11)14/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyPVTSYDSXTXGOGB-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.24
Rot. Bonds7

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

2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid (PubChem CID 61201518) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid
PubChem CID61201518
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCCC(N)=O
InChIInChI=1S/C10H19N3O4/c1-3-7(2)13(6-9(15)16)10(17)12-5-4-8(11)14/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyPVTSYDSXTXGOGB-UHFFFAOYSA-N
XLogP-0.24
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184230
2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid
CID 61184394
2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
CID 107438020
2-[2-[butan-2-yl(methyl)amino]ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 114134222
2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid
CID 61203871
2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid
CID 60829080
2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid
CID 62923520
2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid
CID 61195973
2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 61182248
2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid
CID 61198780
2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid
CID 61184520
2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
CID 60833263

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid (CID 61201518) is 2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NCCC(N)=O.
What is the InChIKey of 2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid?
The InChIKey is PVTSYDSXTXGOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-7(2)13(6-9(15)16)10(17)12-5-4-8(11)14/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid?
2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid is sourced from PubChem (CID 61201518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).