2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate

C9H16N4O5 — CID 7020054

IUPAC2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate
SMILESNC(=O)CC[C@H](NC(=O)C[NH3+])C(=O)NCC(=O)[O-]
InChIInChI=1S/C9H16N4O5/c10-3-7(15)13-5(1-2-6(11)14)9(18)12-4-8(16)17/h5H,1-4,10H2,(H2,11,14)(H,12,18)(H,13,15)(H,16,17)/t5-/m0/s1
InChIKeyBYYNJRSNDARRBX-YFKPBYRVSA-N
MW260.25 g/mol
LogP-5.16
Rot. Bonds8

About 2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate

2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate (PubChem CID 7020054) has the molecular formula C9H16N4O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate.

Molecular Properties

Compound Name2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate
PubChem CID7020054
Molecular FormulaC9H16N4O5
Molecular Weight260.25 g/mol
Exact Mass260.11
IUPAC Name2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate
SMILESNC(=O)CC[C@H](NC(=O)C[NH3+])C(=O)NCC(=O)[O-]
InChIInChI=1S/C9H16N4O5/c10-3-7(15)13-5(1-2-6(11)14)9(18)12-4-8(16)17/h5H,1-4,10H2,(H2,11,14)(H,12,18)(H,13,15)(H,16,17)/t5-/m0/s1
InChIKeyBYYNJRSNDARRBX-YFKPBYRVSA-N
XLogP-5.16
TPSA169.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-5.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate with MolForge

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Related Compounds

2-[[(2S)-5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]acetic acid
CID 7020055
5-amino-2-[[2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 18487270
(2S)-2-azaniumyl-5-[[(2R)-1-(carboxylatomethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate
CID 7048684
2-amino-5-[[1-(carboxylatomethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate
CID 59658501
(2S)-5-amino-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 145455067
2-[[2-[[5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoyl]amino]acetyl]amino]butanedioic acid
CID 22654616
2-amino-5-[[1-(carboxylatomethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate;iron(2+)
CID 88632278
(2S)-2-amino-5-[[(2R)-1-(carboxylatomethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate;cerium(3+)
CID 172733428
(4S)-4-[(2-azaniumylacetyl)amino]-5-[[(1S)-1-carboxylato-2-cyanoethyl]amino]-5-oxopentanoate
CID 7020058
2-[[5-amino-2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]acetic acid
CID 18488807
2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
CID 18235107
2-[[2-[[5-amino-2-[(2-amino-3-methylpentanoyl)amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioic acid
CID 18293954

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate?
The IUPAC name of 2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate (CID 7020054) is 2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate.
What is the SMILES notation for 2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate?
The canonical SMILES for 2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate is NC(=O)CC[C@H](NC(=O)C[NH3+])C(=O)NCC(=O)[O-].
What is the InChIKey of 2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate?
The InChIKey is BYYNJRSNDARRBX-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H16N4O5/c10-3-7(15)13-5(1-2-6(11)14)9(18)12-4-8(16)17/h5H,1-4,10H2,(H2,11,14)(H,12,18)(H,13,15)(H,16,17)/t5-/m0/s1.
What are the key properties of 2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate?
2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate has a molecular weight of 260.25 g/mol, XLogP of -5.16, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate is sourced from PubChem (CID 7020054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).