2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid

C10H18N4O5 — CID 61478804

IUPAC2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid
SMILESCCNC(=O)C(C)NC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H18N4O5/c1-3-11-9(18)6(2)14-10(19)13-4-7(15)12-5-8(16)17/h6H,3-5H2,1-2H3,(H,11,18)(H,12,15)(H,16,17)(H2,13,14,19)
InChIKeyIVDQTIAIBNNXPJ-UHFFFAOYSA-N
MW274.28 g/mol
LogP-1.99
Rot. Bonds7

About 2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid

2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid (PubChem CID 61478804) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid
PubChem CID61478804
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid
SMILESCCNC(=O)C(C)NC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H18N4O5/c1-3-11-9(18)6(2)14-10(19)13-4-7(15)12-5-8(16)17/h6H,3-5H2,1-2H3,(H,11,18)(H,12,15)(H,16,17)(H2,13,14,19)
InChIKeyIVDQTIAIBNNXPJ-UHFFFAOYSA-N
XLogP-1.99
TPSA136.63 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-1.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 101151663
2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid
CID 79463151
2-[[(2S)-2-(dodecylcarbamoylamino)propanoyl]amino]acetic acid
CID 25058027
2-[[2-[[(2S)-2-[(4-chlorophenyl)carbamoylamino]propanoyl]amino]acetyl]amino]acetic acid
CID 126563216
2-[[2-(6-methylheptan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61471562
2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid
CID 22025867
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61201929
(2S)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-3-methylbutanoic acid
CID 54959008
2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 63993771
2-[[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]acetyl]amino]acetic acid
CID 22652225
N-ethyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43401396

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid (CID 61478804) is 2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid is CCNC(=O)C(C)NC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid?
The InChIKey is IVDQTIAIBNNXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-3-11-9(18)6(2)14-10(19)13-4-7(15)12-5-8(16)17/h6H,3-5H2,1-2H3,(H,11,18)(H,12,15)(H,16,17)(H2,13,14,19).
What are the key properties of 2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid?
2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid has a molecular weight of 274.28 g/mol, XLogP of -1.99, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 61478804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).