2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid

C10H19N3O5 — CID 66167409

IUPAC2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
SMILESCCCN(CC(=O)NC)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-3-4-13(6-8(15)11-2)10(18)12-5-7(14)9(16)17/h7,14H,3-6H2,1-2H3,(H,11,15)(H,12,18)(H,16,17)
InChIKeyBGONDYPWSMYHOJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.40
Rot. Bonds7

About 2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid

2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid (PubChem CID 66167409) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
PubChem CID66167409
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
SMILESCCCN(CC(=O)NC)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-3-4-13(6-8(15)11-2)10(18)12-5-7(14)9(16)17/h7,14H,3-6H2,1-2H3,(H,11,15)(H,12,18)(H,16,17)
InChIKeyBGONDYPWSMYHOJ-UHFFFAOYSA-N
XLogP-1.40
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66165725
3-methoxy-4-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid
CID 103158984
2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 54985451
(2R)-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 78972133
3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid
CID 54985406
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167624
2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66167993
3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66167992
2-[[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223396
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 114144627
3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824
3-[[butyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66166113

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid (CID 66167409) is 2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid is CCCN(CC(=O)NC)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid?
The InChIKey is BGONDYPWSMYHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-3-4-13(6-8(15)11-2)10(18)12-5-7(14)9(16)17/h7,14H,3-6H2,1-2H3,(H,11,15)(H,12,18)(H,16,17).
What are the key properties of 2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid?
2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.40, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 66167409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).