(2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid

C10H17N3O6 — CID 170287274

IUPAC(2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid
SMILESCOC(=O)NCCC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O6/c1-19-10(18)12-5-4-8(15)13-6(9(16)17)2-3-7(11)14/h6H,2-5H2,1H3,(H2,11,14)(H,12,18)(H,13,15)(H,16,17)/t6-/m0/s1
InChIKeyNAQJMBMKBGEGJL-LURJTMIESA-N
MW275.26 g/mol
LogP-1.43
Rot. Bonds8

About (2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid

(2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid (PubChem CID 170287274) has the molecular formula C10H17N3O6 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid
PubChem CID170287274
Molecular FormulaC10H17N3O6
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name(2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid
SMILESCOC(=O)NCCC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O6/c1-19-10(18)12-5-4-8(15)13-6(9(16)17)2-3-7(11)14/h6H,2-5H2,1H3,(H2,11,14)(H,12,18)(H,13,15)(H,16,17)/t6-/m0/s1
InChIKeyNAQJMBMKBGEGJL-LURJTMIESA-N
XLogP-1.43
TPSA147.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid
CID 103995632
5-[[5-[[5-[[4-[[5-[(5-amino-1-methoxy-1,5-dioxopentan-2-yl)amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-2-[[4-[[4-(butanoylamino)-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 177284901
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276
2-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123280236
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
(2S)-5-amino-2-(3-ethoxypropanoylamino)-5-oxopentanoic acid
CID 62591193
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2S)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104203
5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid
CID 61156701
(2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 107830090

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid (CID 170287274) is (2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid is COC(=O)NCCC(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid?
The InChIKey is NAQJMBMKBGEGJL-LURJTMIESA-N. The full InChI is InChI=1S/C10H17N3O6/c1-19-10(18)12-5-4-8(15)13-6(9(16)17)2-3-7(11)14/h6H,2-5H2,1H3,(H2,11,14)(H,12,18)(H,13,15)(H,16,17)/t6-/m0/s1.
What are the key properties of (2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid?
(2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid has a molecular weight of 275.26 g/mol, XLogP of -1.43, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 170287274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).