2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid

C12H23N3O4 — CID 65223693

IUPAC2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC(C)C(=O)NCC)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-4-6-9(11(17)18)7-14-12(19)15-8(3)10(16)13-5-2/h8-9H,4-7H2,1-3H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyHNUXVQNXXGASIA-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.31
Rot. Bonds8

About 2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid

2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid (PubChem CID 65223693) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid
PubChem CID65223693
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC(C)C(=O)NCC)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-4-6-9(11(17)18)7-14-12(19)15-8(3)10(16)13-5-2/h8-9H,4-7H2,1-3H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyHNUXVQNXXGASIA-UHFFFAOYSA-N
XLogP0.31
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylpentan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 65223798
2-[(hexan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65222200
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid
CID 65221246
(2S)-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567519
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
(2S)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-3-methylbutanoic acid
CID 54959008
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid
CID 61479018
1-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312463
3-(ethylcarbamoyl)hexanoic acid
CID 112515142
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid (CID 65223693) is 2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid is CCCC(CNC(=O)NC(C)C(=O)NCC)C(=O)O.
What is the InChIKey of 2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid?
The InChIKey is HNUXVQNXXGASIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-4-6-9(11(17)18)7-14-12(19)15-8(3)10(16)13-5-2/h8-9H,4-7H2,1-3H3,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid?
2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.31, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 65223693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).