(2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

C14H28N2O5 — CID 14059342

IUPAC(2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCC(C)(C)OC[C@H](NC(=O)[C@@H](N)COC(C)(C)C)C(=O)O
InChIInChI=1S/C14H28N2O5/c1-13(2,3)20-7-9(15)11(17)16-10(12(18)19)8-21-14(4,5)6/h9-10H,7-8,15H2,1-6H3,(H,16,17)(H,18,19)/t9-,10-/m0/s1
InChIKeyLXURTZNYGAAUHD-UWVGGRQHSA-N
MW304.39 g/mol
LogP0.51
Rot. Bonds7

About (2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

(2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid (PubChem CID 14059342) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
PubChem CID14059342
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Name(2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCC(C)(C)OC[C@H](NC(=O)[C@@H](N)COC(C)(C)C)C(=O)O
InChIInChI=1S/C14H28N2O5/c1-13(2,3)20-7-9(15)11(17)16-10(12(18)19)8-21-14(4,5)6/h9-10H,7-8,15H2,1-6H3,(H,16,17)(H,18,19)/t9-,10-/m0/s1
InChIKeyLXURTZNYGAAUHD-UWVGGRQHSA-N
XLogP0.51
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[[(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-4-methylpentanoate
CID 129404472
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid;chloromethane
CID 160898573
3-acetyloxy-2-[(3-acetyloxy-2-aminopropanoyl)amino]propanoic acid
CID 16718065
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 23363391
tert-butyl (3S)-3-amino-4-[[(2S)-1,3-bis[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-4-oxobutanoate
CID 131720161
2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,3,3-tetramethylbutyl)propanamide
CID 142423575
(2S)-2-(2,2-difluoroethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 112737581
2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 155282670
(2S)-2-[[(2S)-2-amino-3-prop-2-enoyloxypropanoyl]amino]-3-prop-2-enoyloxypropanoic acid
CID 165386940
(2S)-4-amino-2-[[(2S)-2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 175931024
(2S)-2-[(2-amino-3-methoxypropanoyl)amino]pentanedioic acid
CID 81089262
2-[(2-amino-3-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 81101732

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid (CID 14059342) is (2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid is CC(C)(C)OC[C@H](NC(=O)[C@@H](N)COC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The InChIKey is LXURTZNYGAAUHD-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-13(2,3)20-7-9(15)11(17)16-10(12(18)19)8-21-14(4,5)6/h9-10H,7-8,15H2,1-6H3,(H,16,17)(H,18,19)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
(2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid has a molecular weight of 304.39 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid is sourced from PubChem (CID 14059342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).