2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid

C10H18N4O5 — CID 107438288

IUPAC2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
SMILESCCNC(=O)C(C)NC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H18N4O5/c1-3-12-9(18)6(2)13-10(19)14(4-7(11)15)5-8(16)17/h6H,3-5H2,1-2H3,(H2,11,15)(H,12,18)(H,13,19)(H,16,17)
InChIKeySXJNPQBDJAZLNV-UHFFFAOYSA-N
MW274.28 g/mol
LogP-1.91
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid (PubChem CID 107438288) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
PubChem CID107438288
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
SMILESCCNC(=O)C(C)NC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H18N4O5/c1-3-12-9(18)6(2)13-10(19)14(4-7(11)15)5-8(16)17/h6H,3-5H2,1-2H3,(H2,11,15)(H,12,18)(H,13,19)(H,16,17)
InChIKeySXJNPQBDJAZLNV-UHFFFAOYSA-N
XLogP-1.91
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid with MolForge

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Related Compounds

Ala-Ala-Ala
CID 5478845
Alanyl-alanyl-alanyl-alanine
CID 5478846
D,L-Alanylglycylglycine
CID 136714
H-Ala-Ala-Ala-Ala-Ala-OH
CID 5478841
H-Ala-Ala-Ala-Ala-Ala-Ala-OH
CID 5496883
2-[2-(2-Aminopropanoylamino)propanoylamino]propanoic acid
CID 263468
Alanyl-glycyl-glycine
CID 96798
L-Alanylglycylglycylglycine
CID 6427055
Ala-Ala-Gly
CID 7010590
2-[Propyl-[2-[propyl-[2-(propylamino)acetyl]amino]acetyl]amino]acetic acid
CID 44291613
(2S)-2-[[2-(1,4,8,11-tetrazacyclotetradec-1-yl)acetyl]amino]propanoic acid
CID 44448460
1-Ethyl-3-[1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea
CID 44613717

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid (CID 107438288) is 2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid is CCNC(=O)C(C)NC(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid?
The InChIKey is SXJNPQBDJAZLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-3-12-9(18)6(2)13-10(19)14(4-7(11)15)5-8(16)17/h6H,3-5H2,1-2H3,(H2,11,15)(H,12,18)(H,13,19)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid has a molecular weight of 274.28 g/mol, XLogP of -1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).